1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide

C22H24N4O3S — CID 46976347

IUPAC1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)ncn3C2CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H24N4O3S/c1-15-4-6-17(13-21(15)30(28,29)25-10-2-3-11-25)24-22(27)16-5-9-20-19(12-16)23-14-26(20)18-7-8-18/h4-6,9,12-14,18H,2-3,7-8,10-11H2,1H3,(H,24,27)
InChIKeyBJNIAQSSMDQFFS-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.72
Rot. Bonds5

About 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide

1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide (PubChem CID 46976347) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide
PubChem CID46976347
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)ncn3C2CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H24N4O3S/c1-15-4-6-17(13-21(15)30(28,29)25-10-2-3-11-25)24-22(27)16-5-9-20-19(12-16)23-14-26(20)18-7-8-18/h4-6,9,12-14,18H,2-3,7-8,10-11H2,1H3,(H,24,27)
InChIKeyBJNIAQSSMDQFFS-UHFFFAOYSA-N
XLogP3.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 71904754
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26760146
N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119516416
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide (CID 46976347) is 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)ncn3C2CC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide?
The InChIKey is BJNIAQSSMDQFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-4-6-17(13-21(15)30(28,29)25-10-2-3-11-25)24-22(27)16-5-9-20-19(12-16)23-14-26(20)18-7-8-18/h4-6,9,12-14,18H,2-3,7-8,10-11H2,1H3,(H,24,27).
What are the key properties of 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide?
1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 46976347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).