N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C20H27N7O — CID 124860757

IUPACN-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC[C@@H](C)[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H27N7O/c1-3-14(2)17(18-22-15-9-5-6-10-16(15)23-18)24-19(28)20(11-7-4-8-12-20)27-13-21-25-26-27/h5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3,(H,22,23)(H,24,28)/t14-,17-/m1/s1
InChIKeyDMDAJORIBDDOOG-RHSMWYFYSA-N
MW381.48 g/mol
LogP3.11
Rot. Bonds6

About N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 124860757) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID124860757
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC NameN-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC[C@@H](C)[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H27N7O/c1-3-14(2)17(18-22-15-9-5-6-10-16(15)23-18)24-19(28)20(11-7-4-8-12-20)27-13-21-25-26-27/h5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3,(H,22,23)(H,24,28)/t14-,17-/m1/s1
InChIKeyDMDAJORIBDDOOG-RHSMWYFYSA-N
XLogP3.11
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 75490655
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 91823107
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-pyrrol-1-ylthian-4-yl)acetamide
CID 124873381
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331862
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 75495508
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-morpholin-4-ylacetamide
CID 97341345
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55877710
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(cyanomethylsulfanyl)acetamide
CID 94613958

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 124860757) is N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CC[C@@H](C)[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is DMDAJORIBDDOOG-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-3-14(2)17(18-22-15-9-5-6-10-16(15)23-18)24-19(28)20(11-7-4-8-12-20)27-13-21-25-26-27/h5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3,(H,22,23)(H,24,28)/t14-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 124860757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).