6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide

C22H26FN3O — CID 158413593

IUPAC6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide
SMILESCCCC[C@@H](C)CNC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2n1C
InChIInChI=1S/C22H26FN3O/c1-4-5-6-15(2)14-24-22(27)21-25-19-12-9-17(13-20(19)26(21)3)16-7-10-18(23)11-8-16/h7-13,15H,4-6,14H2,1-3H3,(H,24,27)/t15-/m1/s1
InChIKeyZXXDDUMLEMFOGH-OAHLLOKOSA-N
MW367.47 g/mol
LogP4.94
Rot. Bonds7

About 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide

6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide (PubChem CID 158413593) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide
PubChem CID158413593
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide
SMILESCCCC[C@@H](C)CNC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2n1C
InChIInChI=1S/C22H26FN3O/c1-4-5-6-15(2)14-24-22(27)21-25-19-12-9-17(13-20(19)26(21)3)16-7-10-18(23)11-8-16/h7-13,15H,4-6,14H2,1-3H3,(H,24,27)/t15-/m1/s1
InChIKeyZXXDDUMLEMFOGH-OAHLLOKOSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-5-azaniumyl-1-[[5-(4-fluorophenyl)-1-methylbenzimidazole-2-carbonyl]amino]pentan-2-yl]azanium
CID 153489419
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(4S)-5-[[5-(4-fluorophenyl)-1-methylbenzimidazole-2-carbonyl]amino]-4-methylpentyl]carbamate;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide;hydrochloride
CID 159510728
1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
CID 135324430
N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
CID 110469008
2-[bis(4-fluorophenyl)-hydroxymethyl]-N-(2-hydroxypentyl)-3-methylbenzimidazole-5-carboxamide
CID 126726529
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
CID 135324542
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
tert-butyl N-[(4R)-5-[[5-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-4-methylpentyl]carbamate
CID 159505362
N-[(2S)-2-methylhexyl]-3,4-bis(trifluoromethyl)benzamide
CID 122549176
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide (CID 158413593) is 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide is CCCC[C@@H](C)CNC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2n1C.
What is the InChIKey of 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide?
The InChIKey is ZXXDDUMLEMFOGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-4-5-6-15(2)14-24-22(27)21-25-19-12-9-17(13-20(19)26(21)3)16-7-10-18(23)11-8-16/h7-13,15H,4-6,14H2,1-3H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide?
6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-methyl-N-[(2R)-2-methylhexyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 158413593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).