1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one

C21H22N2O3 — CID 142985780

IUPAC1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one
SMILESCCCCC(=O)Cn1c(C(=O)c2ccccc2)nc2ccc(OC)cc21
InChIInChI=1S/C21H22N2O3/c1-3-4-10-16(24)14-23-19-13-17(26-2)11-12-18(19)22-21(23)20(25)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3
InChIKeyGYWASLJIXWFUHR-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.04
Rot. Bonds8

About 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one

1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one (PubChem CID 142985780) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one.

Molecular Properties

Compound Name1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one
PubChem CID142985780
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one
SMILESCCCCC(=O)Cn1c(C(=O)c2ccccc2)nc2ccc(OC)cc21
InChIInChI=1S/C21H22N2O3/c1-3-4-10-16(24)14-23-19-13-17(26-2)11-12-18(19)22-21(23)20(25)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3
InChIKeyGYWASLJIXWFUHR-UHFFFAOYSA-N
XLogP4.04
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
CID 11281617
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide
CID 90871410
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
CID 24963331
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 84810462
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
CID 71010883
1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
CID 147949604
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
CID 155143022
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
1,4-dimethoxybenzene;octan-3-one
CID 174621330

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one?
The IUPAC name of 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one (CID 142985780) is 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one.
What is the SMILES notation for 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one?
The canonical SMILES for 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one is CCCCC(=O)Cn1c(C(=O)c2ccccc2)nc2ccc(OC)cc21.
What is the InChIKey of 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one?
The InChIKey is GYWASLJIXWFUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-4-10-16(24)14-23-19-13-17(26-2)11-12-18(19)22-21(23)20(25)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3.
What are the key properties of 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one?
1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one has a molecular weight of 350.42 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one is sourced from PubChem (CID 142985780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).