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

C19H25N7O — CID 75490655

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N7O/c1-13(2)16(17-21-14-8-4-5-9-15(14)22-17)23-18(27)19(10-6-3-7-11-19)26-12-20-24-25-26/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3,(H,21,22)(H,23,27)/t16-/m0/s1
InChIKeyMLFZYKKXMSDLTC-INIZCTEOSA-N
MW367.46 g/mol
LogP2.72
Rot. Bonds5

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

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 75490655) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID75490655
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N7O/c1-13(2)16(17-21-14-8-4-5-9-15(14)22-17)23-18(27)19(10-6-3-7-11-19)26-12-20-24-25-26/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3,(H,21,22)(H,23,27)/t16-/m0/s1
InChIKeyMLFZYKKXMSDLTC-INIZCTEOSA-N
XLogP2.72
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 124860757
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N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 78925715
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CID 47141201
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-5-carboxamide
CID 86206903
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 75490655) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CC(C)[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is MLFZYKKXMSDLTC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N7O/c1-13(2)16(17-21-14-8-4-5-9-15(14)22-17)23-18(27)19(10-6-3-7-11-19)26-12-20-24-25-26/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3,(H,21,22)(H,23,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 75490655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).