1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide

C25H25N3O3S — CID 56671942

IUPAC1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C25H25N3O3S/c1-3-21(18-9-5-4-6-10-18)27-25(29)19-13-14-23-22(15-19)26-17-28(23)16-20-11-7-8-12-24(20)32(2,30)31/h4-15,17,21H,3,16H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyBVHNFKVNSHVVDH-OAQYLSRUSA-N
MW447.56 g/mol
LogP4.37
Rot. Bonds7

About 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide

1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide (PubChem CID 56671942) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
PubChem CID56671942
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C25H25N3O3S/c1-3-21(18-9-5-4-6-10-18)27-25(29)19-13-14-23-22(15-19)26-17-28(23)16-20-11-7-8-12-24(20)32(2,30)31/h4-15,17,21H,3,16H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyBVHNFKVNSHVVDH-OAQYLSRUSA-N
XLogP4.37
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 25164661
2-((4-(Methylthio)phenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 45267853
1-[4-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 2469376
N-(3-ethoxypropyl)-1-(4-ethylphenyl)-1H-benzimidazole-5-carboxamide
CID 5048149
1-(3,5-dimethylphenyl)-N-propyl-1H-benzimidazole-5-carboxamide
CID 3662061
N,N-diethyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 71307876
1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10114123
1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-(4-fluorobenzamido)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
CID 10151801
N-cyclohexyl-N-methyl-1-(3-(methylamino)-3-oxopropyl)-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10151831
N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10194689
1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methyl-1H-benzo[d]imidazole-5-carboxamide
CID 10195094

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide (CID 56671942) is 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide is CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide?
The InChIKey is BVHNFKVNSHVVDH-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-3-21(18-9-5-4-6-10-18)27-25(29)19-13-14-23-22(15-19)26-17-28(23)16-20-11-7-8-12-24(20)32(2,30)31/h4-15,17,21H,3,16H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide?
1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 56671942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).