N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide

C16H18N4O2S — CID 121448048

IUPACN-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide
SMILESCC(C)n1c(-c2cccnc2)nc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C16H18N4O2S/c1-11(2)20-15-7-6-13(19-23(3,21)22)9-14(15)18-16(20)12-5-4-8-17-10-12/h4-11,19H,1-3H3
InChIKeyYSMFQNVNWXVCHS-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.05
Rot. Bonds4

About N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide

N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide (PubChem CID 121448048) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide
PubChem CID121448048
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide
SMILESCC(C)n1c(-c2cccnc2)nc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C16H18N4O2S/c1-11(2)20-15-7-6-13(19-23(3,21)22)9-14(15)18-16(20)12-5-4-8-17-10-12/h4-11,19H,1-3H3
InChIKeyYSMFQNVNWXVCHS-UHFFFAOYSA-N
XLogP3.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide (CID 121448048) is N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide is CC(C)n1c(-c2cccnc2)nc2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide?
The InChIKey is YSMFQNVNWXVCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11(2)20-15-7-6-13(19-23(3,21)22)9-14(15)18-16(20)12-5-4-8-17-10-12/h4-11,19H,1-3H3.
What are the key properties of N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide?
N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 121448048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).