N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide

C22H24N4O2S — CID 23302680

IUPACN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide
SMILESCn1c(Cc2ccc(C#N)cc2)nc2cc(N(C3CCCC3)S(C)(=O)=O)ccc21
InChIInChI=1S/C22H24N4O2S/c1-25-21-12-11-19(26(29(2,27)28)18-5-3-4-6-18)14-20(21)24-22(25)13-16-7-9-17(15-23)10-8-16/h7-12,14,18H,3-6,13H2,1-2H3
InChIKeyVEFMZPAMXUHIRT-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide

N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide (PubChem CID 23302680) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide
PubChem CID23302680
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide
SMILESCn1c(Cc2ccc(C#N)cc2)nc2cc(N(C3CCCC3)S(C)(=O)=O)ccc21
InChIInChI=1S/C22H24N4O2S/c1-25-21-12-11-19(26(29(2,27)28)18-5-3-4-6-18)14-20(21)24-22(25)13-16-7-9-17(15-23)10-8-16/h7-12,14,18H,3-6,13H2,1-2H3
InChIKeyVEFMZPAMXUHIRT-UHFFFAOYSA-N
XLogP3.74
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-[cyclohexyl(methylsulfonyl)amino]-1-methylbenzimidazol-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 158568271
N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
CID 23302225
2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile
CID 65035576
ethyl 4-(N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonylanilino)butanoate
CID 23302243
N-[2-[2-(4-cyanophenyl)ethyl]-1-methylbenzimidazol-5-yl]-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 22621836
2-[benzenesulfonyl-[2-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]amino]acetamide
CID 23302778
ethyl 3-[5-[benzenesulfonyl-[3-(dimethylamino)propyl]amino]-2-[(4-cyanophenyl)methyl]benzimidazol-1-yl]propanoate
CID 54504423
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
3-methyl-2-[2-(oxan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712752
4-[[5-cyclohexyl-1-methyl-4-(propylaminomethyl)benzimidazol-2-yl]methyl]benzonitrile
CID 23302824
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
CID 84621917
N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide
CID 23302315

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide?
The IUPAC name of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide (CID 23302680) is N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide.
What is the SMILES notation for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide?
The canonical SMILES for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide is Cn1c(Cc2ccc(C#N)cc2)nc2cc(N(C3CCCC3)S(C)(=O)=O)ccc21.
What is the InChIKey of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide?
The InChIKey is VEFMZPAMXUHIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-25-21-12-11-19(26(29(2,27)28)18-5-3-4-6-18)14-20(21)24-22(25)13-16-7-9-17(15-23)10-8-16/h7-12,14,18H,3-6,13H2,1-2H3.
What are the key properties of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide?
N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide has a molecular weight of 408.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-N-cyclopentylmethanesulfonamide is sourced from PubChem (CID 23302680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).