1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one

C19H20N2O2 — CID 163284683

IUPAC1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C)c(-n2cnc3ccccc32)c1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)18(22)14-10-9-13(23-4)11-17(14)21-12-20-15-7-5-6-8-16(15)21/h5-12H,1-4H3
InChIKeyNMLDZTWPNZYZCI-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.26
Rot. Bonds3

About 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one

1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one (PubChem CID 163284683) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
PubChem CID163284683
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C)c(-n2cnc3ccccc32)c1
InChIInChI=1S/C19H20N2O2/c1-19(2,3)18(22)14-10-9-13(23-4)11-17(14)21-12-20-15-7-5-6-8-16(15)21/h5-12H,1-4H3
InChIKeyNMLDZTWPNZYZCI-UHFFFAOYSA-N
XLogP4.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one;tert-butyl N-[2-[2-(2,2-dimethylpropanoyl)-5-methoxyanilino]phenyl]carbamate;formic acid
CID 165086149
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
9-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-1,3,6,8-tetratert-butylfluoren-9-ol
CID 165375273
1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
CID 70138711
2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 118867936
2-(benzimidazol-1-yl)-4-chlorobenzoic acid
CID 63082519
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 55953307
2-(benzimidazol-1-yl)-4-bromobenzamide
CID 114907649
2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103397259
2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716
6-methoxy-1-phenylbenzimidazole
CID 652633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one (CID 163284683) is 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one is COc1ccc(C(=O)C(C)(C)C)c(-n2cnc3ccccc32)c1.
What is the InChIKey of 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one?
The InChIKey is NMLDZTWPNZYZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2,3)18(22)14-10-9-13(23-4)11-17(14)21-12-20-15-7-5-6-8-16(15)21/h5-12H,1-4H3.
What are the key properties of 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one?
1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one has a molecular weight of 308.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 163284683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).