2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid

C24H27N3O3 — CID 15475271

IUPAC2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
SMILESCC(C)C(NC(=O)C1CC1)c1nc2cc(C(=O)O)ccc2n1CCc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-15(2)21(26-23(28)17-8-9-17)22-25-19-14-18(24(29)30)10-11-20(19)27(22)13-12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17,21H,8-9,12-13H2,1-2H3,(H,26,28)(H,29,30)
InChIKeyKGPNXWYQLWKZSA-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.20
Rot. Bonds8

About 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid

2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid (PubChem CID 15475271) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
PubChem CID15475271
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
SMILESCC(C)C(NC(=O)C1CC1)c1nc2cc(C(=O)O)ccc2n1CCc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-15(2)21(26-23(28)17-8-9-17)22-25-19-14-18(24(29)30)10-11-20(19)27(22)13-12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17,21H,8-9,12-13H2,1-2H3,(H,26,28)(H,29,30)
InChIKeyKGPNXWYQLWKZSA-UHFFFAOYSA-N
XLogP4.20
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
CID 134127106
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
CID 46308149
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322844
tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate
CID 66886965
2-propan-2-yl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
CID 63227149
1-[(3-fluorophenyl)methyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 139189657
2-butan-2-yl-1-[2-(diethylamino)ethyl]benzimidazole-5-carboxylic acid
CID 46309354
1-(3-ethoxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid (CID 15475271) is 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid is CC(C)C(NC(=O)C1CC1)c1nc2cc(C(=O)O)ccc2n1CCc1ccccc1.
What is the InChIKey of 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid?
The InChIKey is KGPNXWYQLWKZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15(2)21(26-23(28)17-8-9-17)22-25-19-14-18(24(29)30)10-11-20(19)27(22)13-12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17,21H,8-9,12-13H2,1-2H3,(H,26,28)(H,29,30).
What are the key properties of 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid?
2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid has a molecular weight of 405.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 15475271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).