2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide

C24H37N3O — CID 142973031

IUPAC2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCCC1
InChIInChI=1S/C24H37N3O/c1-6-26(7-2)22(28)19-14-15-21-20(16-19)25-23(24(3,4)5)27(21)17-18-12-10-8-9-11-13-18/h14-16,18H,6-13,17H2,1-5H3
InChIKeyORLFPACYXBXNSI-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.79
Rot. Bonds5

About 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide

2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide (PubChem CID 142973031) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide
PubChem CID142973031
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCCC1
InChIInChI=1S/C24H37N3O/c1-6-26(7-2)22(28)19-14-15-21-20(16-19)25-23(24(3,4)5)27(21)17-18-12-10-8-9-11-13-18/h14-16,18H,6-13,17H2,1-5H3
InChIKeyORLFPACYXBXNSI-UHFFFAOYSA-N
XLogP5.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N,2,2-trimethylpropanamide
CID 11338075
2-tert-butyl-1-(oxepan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 142972998
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
CID 143022132
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylacetamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 159730971
2-tert-butyl-1-(cyclohexylmethyl)-5-(1-hydroxypyridin-1-ium-4-yl)sulfinylbenzimidazole
CID 162155045
2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane
CID 142973027
2-tert-butyl-1-(cyclobutylmethyl)benzimidazole-5-thiol
CID 58010440
1-(cyclohexylmethyl)-2-(2-methylbutan-2-yl)benzimidazole-5-carbonitrile;1-(cyclohexylmethyl)-2-(2-methylbutan-2-yl)benzimidazole-5-carboxylic acid
CID 158430869
4-amino-N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 11408421
[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 11257254

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide (CID 142973031) is 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCCC1.
What is the InChIKey of 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide?
The InChIKey is ORLFPACYXBXNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-6-26(7-2)22(28)19-14-15-21-20(16-19)25-23(24(3,4)5)27(21)17-18-12-10-8-9-11-13-18/h14-16,18H,6-13,17H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide?
2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide has a molecular weight of 383.58 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 142973031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).