1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide

C18H21N3O2S — CID 110785938

IUPAC1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
SMILESCC(C)n1cnc2cc(CNS(=O)(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C18H21N3O2S/c1-14(2)21-13-19-17-10-16(8-9-18(17)21)11-20-24(22,23)12-15-6-4-3-5-7-15/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeySFECIMXNCUGFDV-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.24
Rot. Bonds6

About 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide

1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide (PubChem CID 110785938) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
PubChem CID110785938
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
SMILESCC(C)n1cnc2cc(CNS(=O)(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C18H21N3O2S/c1-14(2)21-13-19-17-10-16(8-9-18(17)21)11-20-24(22,23)12-15-6-4-3-5-7-15/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeySFECIMXNCUGFDV-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 110785922
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide (CID 110785938) is 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide is CC(C)n1cnc2cc(CNS(=O)(=O)Cc3ccccc3)ccc21.
What is the InChIKey of 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide?
The InChIKey is SFECIMXNCUGFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14(2)21-13-19-17-10-16(8-9-18(17)21)11-20-24(22,23)12-15-6-4-3-5-7-15/h3-10,13-14,20H,11-12H2,1-2H3.
What are the key properties of 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide?
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110785938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).