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

C17H21N7O — CID 75490845

IUPACN-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(NCCn1cnc2ccccc21)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C17H21N7O/c25-16(17(8-4-1-5-9-17)24-13-20-21-22-24)18-10-11-23-12-19-14-6-2-3-7-15(14)23/h2-3,6-7,12-13H,1,4-5,8-11H2,(H,18,25)
InChIKeyLXSDVFDOERSYET-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.50
Rot. Bonds5

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

N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 75490845) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID75490845
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(NCCn1cnc2ccccc21)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C17H21N7O/c25-16(17(8-4-1-5-9-17)24-13-20-21-22-24)18-10-11-23-12-19-14-6-2-3-7-15(14)23/h2-3,6-7,12-13H,1,4-5,8-11H2,(H,18,25)
InChIKeyLXSDVFDOERSYET-UHFFFAOYSA-N
XLogP1.50
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 61250242
N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 127254601
N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 71828318
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001859
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111445290
N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 124860757
2-(benzimidazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62521113
1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 49046964
2-(benzimidazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362366

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 75490845) is N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is O=C(NCCn1cnc2ccccc21)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is LXSDVFDOERSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c25-16(17(8-4-1-5-9-17)24-13-20-21-22-24)18-10-11-23-12-19-14-6-2-3-7-15(14)23/h2-3,6-7,12-13H,1,4-5,8-11H2,(H,18,25).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 75490845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).