N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C21H29N7O — CID 75489329

IUPACN-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)Cn1c(CCNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21
InChIInChI=1S/C21H29N7O/c1-16(2)14-27-18-9-5-4-8-17(18)24-19(27)10-13-22-20(29)21(11-6-3-7-12-21)28-15-23-25-26-28/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3,(H,22,29)
InChIKeyZLLOCTZQKBAAOA-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.70
Rot. Bonds7

About N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 75489329) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID75489329
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC NameN-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)Cn1c(CCNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21
InChIInChI=1S/C21H29N7O/c1-16(2)14-27-18-9-5-4-8-17(18)24-19(27)10-13-22-20(29)21(11-6-3-7-12-21)28-15-23-25-26-28/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3,(H,22,29)
InChIKeyZLLOCTZQKBAAOA-UHFFFAOYSA-N
XLogP2.70
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 75490845
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid
CID 154912354
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 124860757
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 75490204
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936673
2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide
CID 4753648
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75357001
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 75489329) is N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CC(C)Cn1c(CCNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21.
What is the InChIKey of N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is ZLLOCTZQKBAAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-16(2)14-27-18-9-5-4-8-17(18)24-19(27)10-13-22-20(29)21(11-6-3-7-12-21)28-15-23-25-26-28/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3,(H,22,29).
What are the key properties of N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 75489329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).