2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one

C17H13N3O3 — CID 22695979

IUPAC2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3nc4ccccc4[nH]3)c(N)oc2c1
InChIInChI=1S/C17H13N3O3/c1-22-9-6-7-10-13(8-9)23-16(18)14(15(10)21)17-19-11-4-2-3-5-12(11)20-17/h2-8H,18H2,1H3,(H,19,20)
InChIKeyOZWDHZZJCBTEAE-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.93
Rot. Bonds2

About 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one

2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one (PubChem CID 22695979) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one
PubChem CID22695979
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3nc4ccccc4[nH]3)c(N)oc2c1
InChIInChI=1S/C17H13N3O3/c1-22-9-6-7-10-13(8-9)23-16(18)14(15(10)21)17-19-11-4-2-3-5-12(11)20-17/h2-8H,18H2,1H3,(H,19,20)
InChIKeyOZWDHZZJCBTEAE-UHFFFAOYSA-N
XLogP2.93
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1H-benzimidazol-2-yl)-2-methyl-4-oxochromen-7-yl] acetate
CID 5035824
7-methoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 2327583
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
CID 2437616
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 78781674
2-(1-benzofuran-2-yl)-6-methoxy-1H-benzimidazole
CID 65017699
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
CID 168554394
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one?
The IUPAC name of 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one (CID 22695979) is 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one.
What is the SMILES notation for 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one?
The canonical SMILES for 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one is COc1ccc2c(=O)c(-c3nc4ccccc4[nH]3)c(N)oc2c1.
What is the InChIKey of 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one?
The InChIKey is OZWDHZZJCBTEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-22-9-6-7-10-13(8-9)23-16(18)14(15(10)21)17-19-11-4-2-3-5-12(11)20-17/h2-8H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one?
2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one has a molecular weight of 307.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one is sourced from PubChem (CID 22695979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).