2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one

C12H14N2O2 — CID 116920419

IUPAC2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
SMILESCn1cnc2cc(C(=O)C(C)(C)O)ccc21
InChIInChI=1S/C12H14N2O2/c1-12(2,16)11(15)8-4-5-10-9(6-8)13-7-14(10)3/h4-7,16H,1-3H3
InChIKeyUWDMBPCXLURFMY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.53
Rot. Bonds2

About 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one

2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one (PubChem CID 116920419) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
PubChem CID116920419
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
SMILESCn1cnc2cc(C(=O)C(C)(C)O)ccc21
InChIInChI=1S/C12H14N2O2/c1-12(2,16)11(15)8-4-5-10-9(6-8)13-7-14(10)3/h4-7,16H,1-3H3
InChIKeyUWDMBPCXLURFMY-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521
4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one
CID 116916623
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
CID 115178873
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
CID 110469081
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
CID 116923440

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one (CID 116920419) is 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one is Cn1cnc2cc(C(=O)C(C)(C)O)ccc21.
What is the InChIKey of 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one?
The InChIKey is UWDMBPCXLURFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,16)11(15)8-4-5-10-9(6-8)13-7-14(10)3/h4-7,16H,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one?
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one has a molecular weight of 218.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one is sourced from PubChem (CID 116920419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).