N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide

C20H21N7O — CID 27448142

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N7O/c1-13(2)10-18(19-22-16-8-3-4-9-17(16)23-19)24-20(28)14-6-5-7-15(11-14)27-12-21-25-26-27/h3-9,11-13,18H,10H2,1-2H3,(H,22,23)(H,24,28)/t18-/m0/s1
InChIKeyMMFQFMLQPUPXHV-SFHVURJKSA-N
MW375.44 g/mol
LogP3.06
Rot. Bonds6

About N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 27448142) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide
PubChem CID27448142
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide
SMILESCC(C)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N7O/c1-13(2)10-18(19-22-16-8-3-4-9-17(16)23-19)24-20(28)14-6-5-7-15(11-14)27-12-21-25-26-27/h3-9,11-13,18H,10H2,1-2H3,(H,22,23)(H,24,28)/t18-/m0/s1
InChIKeyMMFQFMLQPUPXHV-SFHVURJKSA-N
XLogP3.06
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 91821012
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55430406
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759959
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 112820972
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide (CID 27448142) is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide is CC(C)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is MMFQFMLQPUPXHV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13(2)10-18(19-22-16-8-3-4-9-17(16)23-19)24-20(28)14-6-5-7-15(11-14)27-12-21-25-26-27/h3-9,11-13,18H,10H2,1-2H3,(H,22,23)(H,24,28)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 375.44 g/mol, XLogP of 3.06, 6 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)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 27448142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).