N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C16H20N4O3S — CID 90640558

IUPACN-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)Nc1cccc(NS(C)(=O)=O)c1)CC2
InChIInChI=1S/C16H20N4O3S/c1-10-17-14-7-6-11(8-15(14)18-10)16(21)19-12-4-3-5-13(9-12)20-24(2,22)23/h3-5,9,11,20H,6-8H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyJDHIZDLRLABYGO-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.83
Rot. Bonds4

About N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640558) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640558
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)Nc1cccc(NS(C)(=O)=O)c1)CC2
InChIInChI=1S/C16H20N4O3S/c1-10-17-14-7-6-11(8-15(14)18-10)16(21)19-12-4-3-5-13(9-12)20-24(2,22)23/h3-5,9,11,20H,6-8H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyJDHIZDLRLABYGO-UHFFFAOYSA-N
XLogP1.83
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640413
N-(3-acetylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640439
2-methyl-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640528
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640414
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628425
N-(2,3-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640466
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
N-(2-carbamoylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640444
(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664473
N-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640483
(5S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663038

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640558) is N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)Nc1cccc(NS(C)(=O)=O)c1)CC2.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is JDHIZDLRLABYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10-17-14-7-6-11(8-15(14)18-10)16(21)19-12-4-3-5-13(9-12)20-24(2,22)23/h3-5,9,11,20H,6-8H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).