tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide

C140H129F3N12O12 — CID 159216649

IUPACtetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide
SMILESC#C[C@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(F)(F)F)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C35H35N3O.C34H33N3O.C34H31N3O.C33H30F3N3O.4CO2/c1-23(2)29-10-7-11-30(20-29)34(28-16-17-28)37-35(39)31-18-19-33-32(21-31)36-24(3)38(33)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-23(2)28-10-7-11-30(20-28)34(18-19-34)36-33(38)29-16-17-32-31(21-29)35-24(3)37(32)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-5-31(29-13-9-12-28(20-29)23(2)3)36-34(38)30-18-19-33-32(21-30)35-24(4)37(33)22-25-14-16-27(17-15-25)26-10-7-6-8-11-26;1-21(2)26-10-7-11-27(18-26)31(33(34,35)36)38-32(40)28-16-17-30-29(19-28)37-22(3)39(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;4*2-1-3/h4-15,18-21,23,28,34H,16-17,22H2,1-3H3,(H,37,39);4-17,20-21,23H,18-19,22H2,1-3H3,(H,36,38);1,6-21,23,31H,22H2,2-4H3,(H,36,38);4-19,21,31H,20H2,1-3H3,(H,38,40);;;;/t34-;;2*31-;;;;/m0.01..../s1
InChIKeyKRDSZMRZDWRYPV-HPJMXFGPSA-N
MW2228.64 g/mol
LogP28.84
Rot. Bonds29

About tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide

tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide (PubChem CID 159216649) has the molecular formula C140H129F3N12O12 and a molecular weight of 2228.64 g/mol. Its IUPAC name is tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Nametetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide
PubChem CID159216649
Molecular FormulaC140H129F3N12O12
Molecular Weight2228.64 g/mol
Exact Mass2226.98
IUPAC Nametetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide
SMILESC#C[C@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(F)(F)F)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C35H35N3O.C34H33N3O.C34H31N3O.C33H30F3N3O.4CO2/c1-23(2)29-10-7-11-30(20-29)34(28-16-17-28)37-35(39)31-18-19-33-32(21-31)36-24(3)38(33)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-23(2)28-10-7-11-30(20-28)34(18-19-34)36-33(38)29-16-17-32-31(21-29)35-24(3)37(32)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-5-31(29-13-9-12-28(20-29)23(2)3)36-34(38)30-18-19-33-32(21-30)35-24(4)37(33)22-25-14-16-27(17-15-25)26-10-7-6-8-11-26;1-21(2)26-10-7-11-27(18-26)31(33(34,35)36)38-32(40)28-16-17-30-29(19-28)37-22(3)39(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;4*2-1-3/h4-15,18-21,23,28,34H,16-17,22H2,1-3H3,(H,37,39);4-17,20-21,23H,18-19,22H2,1-3H3,(H,36,38);1,6-21,23,31H,22H2,2-4H3,(H,36,38);4-19,21,31H,20H2,1-3H3,(H,38,40);;;;/t34-;;2*31-;;;;/m0.01..../s1
InChIKeyKRDSZMRZDWRYPV-HPJMXFGPSA-N
XLogP28.84
TPSA324.24 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002228.64
LogP ≤ 528.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide with MolForge

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Related Compounds

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5-(2-{5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-1-methyl-1H-1,3-benzodiazol-2-yl}-1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl)-2,3-dihydro-1H-indol-2-one
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6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-fluoro-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-2,3-dihydroisoindol-1-one
CID 166493629
6-(2-{5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-1-methyl-1H-1,3-benzodiazol-2-yl}-1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-yl)-2,3-dihydro-1H-isoindol-1-one
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6-[2-[5-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-fluoro-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2,3-dihydroisoindol-1-one
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CID 18674242
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Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide (CID 159216649) is tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide is C#C[C@H](NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(F)(F)F)ccc2n1Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide?
The InChIKey is KRDSZMRZDWRYPV-HPJMXFGPSA-N. The full InChI is InChI=1S/C35H35N3O.C34H33N3O.C34H31N3O.C33H30F3N3O.4CO2/c1-23(2)29-10-7-11-30(20-29)34(28-16-17-28)37-35(39)31-18-19-33-32(21-31)36-24(3)38(33)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-23(2)28-10-7-11-30(20-28)34(18-19-34)36-33(38)29-16-17-32-31(21-29)35-24(3)37(32)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-5-31(29-13-9-12-28(20-29)23(2)3)36-34(38)30-18-19-33-32(21-30)35-24(4)37(33)22-25-14-16-27(17-15-25)26-10-7-6-8-11-26;1-21(2)26-10-7-11-27(18-26)31(33(34,35)36)38-32(40)28-16-17-30-29(19-28)37-22(3)39(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;4*2-1-3/h4-15,18-21,23,28,34H,16-17,22H2,1-3H3,(H,37,39);4-17,20-21,23H,18-19,22H2,1-3H3,(H,36,38);1,6-21,23,31H,22H2,2-4H3,(H,36,38);4-19,21,31H,20H2,1-3H3,(H,38,40);;;;/t34-;;2*31-;;;;/m0.01..../s1.
What are the key properties of tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide?
tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide has a molecular weight of 2228.64 g/mol, XLogP of 28.84, 29 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2-methyl-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 159216649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).