N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide

C141H194N18O11S — CID 157419523

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(C)c(C)o1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(C)c(C)o1.CCCCn1c(CN(CC(C)C)C(=O)CCC2=CSCC2)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(C)c(C)o2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(C)oc2C)nc2ccccc21
InChIInChI=1S/3C24H33N3O2.2C23H31N3O2.C23H33N3OS/c1-6-7-13-27-22-11-9-8-10-21(22)25-23(27)16-26(14-12-17(2)3)24(28)20-15-18(4)29-19(20)5;1-6-7-13-27-21-11-9-8-10-20(21)25-23(27)16-26(14-12-17(2)3)24(28)22-15-18(4)19(5)29-22;1-5-7-11-14-26(24(28)22-16-18(3)19(4)29-22)17-23-25-20-12-9-10-13-21(20)27(23)15-8-6-2;1-6-7-12-26-20-11-9-8-10-19(20)24-22(26)15-25(14-16(2)3)23(27)21-13-17(4)18(5)28-21;1-5-7-13-25(23(27)21-15-17(3)18(4)28-21)16-22-24-19-11-9-10-12-20(19)26(22)14-8-6-2;1-4-5-13-26-21-9-7-6-8-20(21)24-22(26)16-25(15-18(2)3)23(27)11-10-19-12-14-28-17-19/h2*8-11,15,17H,6-7,12-14,16H2,1-5H3;9-10,12-13,16H,5-8,11,14-15,17H2,1-4H3;8-11,13,16H,6-7,12,14-15H2,1-5H3;9-12,15H,5-8,13-14,16H2,1-4H3;6-9,17-18H,4-5,10-16H2,1-3H3
InChIKeyBPFXJYINUXKRTR-UHFFFAOYSA-N
MW2349.28 g/mol
LogP33.80
Rot. Bonds55

About N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide

N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide (PubChem CID 157419523) has the molecular formula C141H194N18O11S and a molecular weight of 2349.28 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide
PubChem CID157419523
Molecular FormulaC141H194N18O11S
Molecular Weight2349.28 g/mol
Exact Mass2347.49
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(C)c(C)o1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(C)c(C)o1.CCCCn1c(CN(CC(C)C)C(=O)CCC2=CSCC2)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(C)c(C)o2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(C)oc2C)nc2ccccc21
InChIInChI=1S/3C24H33N3O2.2C23H31N3O2.C23H33N3OS/c1-6-7-13-27-22-11-9-8-10-21(22)25-23(27)16-26(14-12-17(2)3)24(28)20-15-18(4)29-19(20)5;1-6-7-13-27-21-11-9-8-10-20(21)25-23(27)16-26(14-12-17(2)3)24(28)22-15-18(4)19(5)29-22;1-5-7-11-14-26(24(28)22-16-18(3)19(4)29-22)17-23-25-20-12-9-10-13-21(20)27(23)15-8-6-2;1-6-7-12-26-20-11-9-8-10-19(20)24-22(26)15-25(14-16(2)3)23(27)21-13-17(4)18(5)28-21;1-5-7-13-25(23(27)21-15-17(3)18(4)28-21)16-22-24-19-11-9-10-12-20(19)26(22)14-8-6-2;1-4-5-13-26-21-9-7-6-8-20(21)24-22(26)16-25(15-18(2)3)23(27)11-10-19-12-14-28-17-19/h2*8-11,15,17H,6-7,12-14,16H2,1-5H3;9-10,12-13,16H,5-8,11,14-15,17H2,1-4H3;8-11,13,16H,6-7,12,14-15H2,1-5H3;9-12,15H,5-8,13-14,16H2,1-4H3;6-9,17-18H,4-5,10-16H2,1-3H3
InChIKeyBPFXJYINUXKRTR-UHFFFAOYSA-N
XLogP33.80
TPSA294.48 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds55
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002349.28
LogP ≤ 533.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide (CID 157419523) is N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide is CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(C)c(C)o1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1cc(C)c(C)o1.CCCCn1c(CN(CC(C)C)C(=O)CCC2=CSCC2)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2cc(C)c(C)o2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(C)c(C)o2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2cc(C)oc2C)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide?
The InChIKey is BPFXJYINUXKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H33N3O2.2C23H31N3O2.C23H33N3OS/c1-6-7-13-27-22-11-9-8-10-21(22)25-23(27)16-26(14-12-17(2)3)24(28)20-15-18(4)29-19(20)5;1-6-7-13-27-21-11-9-8-10-20(21)25-23(27)16-26(14-12-17(2)3)24(28)22-15-18(4)19(5)29-22;1-5-7-11-14-26(24(28)22-16-18(3)19(4)29-22)17-23-25-20-12-9-10-13-21(20)27(23)15-8-6-2;1-6-7-12-26-20-11-9-8-10-19(20)24-22(26)15-25(14-16(2)3)23(27)21-13-17(4)18(5)28-21;1-5-7-13-25(23(27)21-15-17(3)18(4)28-21)16-22-24-19-11-9-10-12-20(19)26(22)14-8-6-2;1-4-5-13-26-21-9-7-6-8-20(21)24-22(26)16-25(15-18(2)3)23(27)11-10-19-12-14-28-17-19/h2*8-11,15,17H,6-7,12-14,16H2,1-5H3;9-10,12-13,16H,5-8,11,14-15,17H2,1-4H3;8-11,13,16H,6-7,12,14-15H2,1-5H3;9-12,15H,5-8,13-14,16H2,1-4H3;6-9,17-18H,4-5,10-16H2,1-3H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide has a molecular weight of 2349.28 g/mol, XLogP of 33.80, 55 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-3-(2,3-dihydrothiophen-4-yl)-N-(2-methylpropyl)propanamide;N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(3-methylbutyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-(2-methylpropyl)furan-2-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethyl-N-pentylfuran-2-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 157419523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).