2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole

C14H13N3OS — CID 21281954

IUPAC2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole
SMILESCc1ccnc(S(=O)Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H13N3OS/c1-10-6-7-15-14(8-10)19(18)9-13-16-11-4-2-3-5-12(11)17-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyZYRLPDFGDASNCL-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.57
Rot. Bonds3

About 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole

2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole (PubChem CID 21281954) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole
PubChem CID21281954
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole
SMILESCc1ccnc(S(=O)Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H13N3OS/c1-10-6-7-15-14(8-10)19(18)9-13-16-11-4-2-3-5-12(11)17-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyZYRLPDFGDASNCL-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 15059490
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[(2,5-dimethylphenyl)sulfinylmethyl]-3H-benzimidazol-5-amine
CID 61303800
2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70405457
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
CID 58296357
CID 58296357
2-(1H-benzimidazol-2-ylsulfinylmethyl)-4,6-dimethylaniline
CID 14064700
2-[[4-(2-ethoxyethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 112758398

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole (CID 21281954) is 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole is Cc1ccnc(S(=O)Cc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole?
The InChIKey is ZYRLPDFGDASNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-6-7-15-14(8-10)19(18)9-13-16-11-4-2-3-5-12(11)17-13/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole?
2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole has a molecular weight of 271.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-pyridinyl)sulfinylmethyl]-1H-benzimidazole is sourced from PubChem (CID 21281954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).