2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole

C13H12N2S — CID 165348409

IUPAC2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
SMILESCc1ccc(Cc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C13H12N2S/c1-9-6-7-10(16-9)8-13-14-11-4-2-3-5-12(11)15-13/h2-7H,8H2,1H3,(H,14,15)
InChIKeyPKBPYACVPSBHPE-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.52
Rot. Bonds2

About 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole

2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole (PubChem CID 165348409) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
PubChem CID165348409
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
SMILESCc1ccc(Cc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C13H12N2S/c1-9-6-7-10(16-9)8-13-14-11-4-2-3-5-12(11)15-13/h2-7H,8H2,1H3,(H,14,15)
InChIKeyPKBPYACVPSBHPE-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-(1H-benzimidazol-2-ylmethyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478147
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
CID 58296357
CID 58296357
2-[2-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661491
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637400
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole (CID 165348409) is 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole is Cc1ccc(Cc2nc3ccccc3[nH]2)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole?
The InChIKey is PKBPYACVPSBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-6-7-10(16-9)8-13-14-11-4-2-3-5-12(11)15-13/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole?
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole has a molecular weight of 228.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 165348409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).