5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole

C12H12N2S — CID 134097067

IUPAC5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole
SMILESCc1ccc2c(c1)NC(c1cccs1)N2
InChIInChI=1S/C12H12N2S/c1-8-4-5-9-10(7-8)14-12(13-9)11-3-2-6-15-11/h2-7,12-14H,1H3
InChIKeyAULYISCITPUDOF-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.59
Rot. Bonds1

About 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole

5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole (PubChem CID 134097067) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole
PubChem CID134097067
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole
SMILESCc1ccc2c(c1)NC(c1cccs1)N2
InChIInChI=1S/C12H12N2S/c1-8-4-5-9-10(7-8)14-12(13-9)11-3-2-6-15-11/h2-7,12-14H,1H3
InChIKeyAULYISCITPUDOF-UHFFFAOYSA-N
XLogP3.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 47409940
(6R,9S)-3-methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1369787
8-methyl-4-thiophen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243490
(6R)-10-methyl-3-methylsulfanyl-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CID 6400976
(2S)-2-thiophen-2-ylaziridine
CID 55263035
6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 115285760
7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285777
6-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285782
7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115472239
6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole
CID 59861037
1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
CID 677364
1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522191

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole?
The IUPAC name of 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole (CID 134097067) is 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole is Cc1ccc2c(c1)NC(c1cccs1)N2.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole?
The InChIKey is AULYISCITPUDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-8-4-5-9-10(7-8)14-12(13-9)11-3-2-6-15-11/h2-7,12-14H,1H3.
What are the key properties of 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole?
5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole has a molecular weight of 216.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 134097067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).