[5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone

C18H17N3O2 — CID 900121

IUPAC[5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone
SMILESCOc1ccc(-n2c(C)nc(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2/c1-12-20-18(19)16(17(22)13-6-4-3-5-7-13)21(12)14-8-10-15(23-2)11-9-14/h3-11H,19H2,1-2H3
InChIKeyJIZLNZPAMQAZNM-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.00
Rot. Bonds4

About [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone

[5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone (PubChem CID 900121) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone
PubChem CID900121
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name[5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone
SMILESCOc1ccc(-n2c(C)nc(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2/c1-12-20-18(19)16(17(22)13-6-4-3-5-7-13)21(12)14-8-10-15(23-2)11-9-14/h3-11H,19H2,1-2H3
InChIKeyJIZLNZPAMQAZNM-UHFFFAOYSA-N
XLogP3.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Ethoxyphenyl)-2,3-dimethylbenzo[f]benzimidazol-3-ium-4,9-dione
CID 155525683
(2-Methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
CID 711821
(4-methoxyphenyl)(1-propyl-1H-benzimidazol-2-yl)methanone
CID 711823
[4-amino-1-(4-methoxyphenyl)-1H-imidazol-5-yl](3-nitrophenyl)methanone
CID 878541
1-{1-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-3-phenyl-2-propen-1-one
CID 5832237
2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 45029092
1-(4-methoxyphenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 71580333
(4-methoxyphenyl)[1-(propan-2-yl)-1H-benzimidazol-2-yl]methanone
CID 842418
2-(2-Acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 384456
US8835436, Example 122
CID 49869084
[4-amino-1-(2-methoxyphenyl)-1H-imidazol-5-yl](phenyl)methanone
CID 658353
2-[2-[4-(4-Methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone
CID 2998012

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone?
The IUPAC name of [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone (CID 900121) is [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone is COc1ccc(-n2c(C)nc(N)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone?
The InChIKey is JIZLNZPAMQAZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-20-18(19)16(17(22)13-6-4-3-5-7-13)21(12)14-8-10-15(23-2)11-9-14/h3-11H,19H2,1-2H3.
What are the key properties of [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone?
[5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone has a molecular weight of 307.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(4-methoxyphenyl)-2-methylimidazol-4-yl]-phenylmethanone is sourced from PubChem (CID 900121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).