(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone

C15H12N2O — CID 57126569

IUPAC(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
SMILESCc1ccc2nc(C(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H12N2O/c1-10-7-8-12-13(9-10)17-15(16-12)14(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyAUZZSQUDEKMVCH-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.10
Rot. Bonds2

About (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone

(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone (PubChem CID 57126569) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
PubChem CID57126569
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
SMILESCc1ccc2nc(C(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H12N2O/c1-10-7-8-12-13(9-10)17-15(16-12)14(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyAUZZSQUDEKMVCH-UHFFFAOYSA-N
XLogP3.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-hydroxy-1H-benzimidazol-2-yl)-phenylmethanone
CID 13162244
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
CID 168980349
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
CID 143887823
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 10360375
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 62875595
1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 83857720
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone?
The IUPAC name of (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone (CID 57126569) is (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone.
What is the SMILES notation for (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone?
The canonical SMILES for (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone is Cc1ccc2nc(C(=O)c3ccccc3)[nH]c2c1.
What is the InChIKey of (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone?
The InChIKey is AUZZSQUDEKMVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-7-8-12-13(9-10)17-15(16-12)14(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17).
What are the key properties of (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone?
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone has a molecular weight of 236.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-benzimidazol-2-yl)-phenylmethanone is sourced from PubChem (CID 57126569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).