N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide

C16H18N4O3S — CID 50971525

IUPACN-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide
SMILESCc1cccc2c1nc(CCO)n2-c1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C16H18N4O3S/c1-11-4-3-5-13-16(11)18-15(8-9-21)20(13)12-6-7-14(17-10-12)19-24(2,22)23/h3-7,10,21H,8-9H2,1-2H3,(H,17,19)
InChIKeyUVHOOXHRLAUQND-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.64
Rot. Bonds5

About N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide

N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 50971525) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide
PubChem CID50971525
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide
SMILESCc1cccc2c1nc(CCO)n2-c1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C16H18N4O3S/c1-11-4-3-5-13-16(11)18-15(8-9-21)20(13)12-6-7-14(17-10-12)19-24(2,22)23/h3-7,10,21H,8-9H2,1-2H3,(H,17,19)
InChIKeyUVHOOXHRLAUQND-UHFFFAOYSA-N
XLogP1.64
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide (CID 50971525) is N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide is Cc1cccc2c1nc(CCO)n2-c1ccc(NS(C)(=O)=O)nc1.
What is the InChIKey of N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is UVHOOXHRLAUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11-4-3-5-13-16(11)18-15(8-9-21)20(13)12-6-7-14(17-10-12)19-24(2,22)23/h3-7,10,21H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide?
N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-hydroxyethyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 50971525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).