N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide

C20H20FN7O — CID 91821012

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESCC(C)CC(NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20FN7O/c1-12(2)9-17(19-23-15-5-3-4-6-16(15)24-19)25-20(29)14-10-13(21)7-8-18(14)28-11-22-26-27-28/h3-8,10-12,17H,9H2,1-2H3,(H,23,24)(H,25,29)
InChIKeyKCTOQCFFWBFXKN-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.19
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide (PubChem CID 91821012) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
PubChem CID91821012
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESCC(C)CC(NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20FN7O/c1-12(2)9-17(19-23-15-5-3-4-6-16(15)24-19)25-20(29)14-10-13(21)7-8-18(14)28-11-22-26-27-28/h3-8,10-12,17H,9H2,1-2H3,(H,23,24)(H,25,29)
InChIKeyKCTOQCFFWBFXKN-UHFFFAOYSA-N
XLogP3.19
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(tetrazol-1-yl)benzamide
CID 27448142
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-bromo-4-fluorobenzamide
CID 55430385
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 112820972
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
CID 124847783
5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide
CID 91640650
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27448120
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-5-fluoro-2-methoxybenzamide
CID 55876309

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide (CID 91821012) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide is CC(C)CC(NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
The InChIKey is KCTOQCFFWBFXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-12(2)9-17(19-23-15-5-3-4-6-16(15)24-19)25-20(29)14-10-13(21)7-8-18(14)28-11-22-26-27-28/h3-8,10-12,17H,9H2,1-2H3,(H,23,24)(H,25,29).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide has a molecular weight of 393.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 91821012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).