2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one

C23H25N3O4 — CID 10158306

IUPAC2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccc4nc(CCCN(C)C)[nH]c4c3)oc2c1OC
InChIInChI=1S/C23H25N3O4/c1-26(2)11-5-6-21-24-16-9-7-14(12-17(16)25-21)20-13-18(27)15-8-10-19(28-3)23(29-4)22(15)30-20/h7-10,12-13H,5-6,11H2,1-4H3,(H,24,25)
InChIKeySBKAZLULBNKBCO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one

2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one (PubChem CID 10158306) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one
PubChem CID10158306
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccc4nc(CCCN(C)C)[nH]c4c3)oc2c1OC
InChIInChI=1S/C23H25N3O4/c1-26(2)11-5-6-21-24-16-9-7-14(12-17(16)25-21)20-13-18(27)15-8-10-19(28-3)23(29-4)22(15)30-20/h7-10,12-13H,5-6,11H2,1-4H3,(H,24,25)
InChIKeySBKAZLULBNKBCO-UHFFFAOYSA-N
XLogP3.85
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one?
The IUPAC name of 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one (CID 10158306) is 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one.
What is the SMILES notation for 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one?
The canonical SMILES for 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one is COc1ccc2c(=O)cc(-c3ccc4nc(CCCN(C)C)[nH]c4c3)oc2c1OC.
What is the InChIKey of 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one?
The InChIKey is SBKAZLULBNKBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-26(2)11-5-6-21-24-16-9-7-14(12-17(16)25-21)20-13-18(27)15-8-10-19(28-3)23(29-4)22(15)30-20/h7-10,12-13H,5-6,11H2,1-4H3,(H,24,25).
What are the key properties of 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one?
2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one has a molecular weight of 407.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-7,8-dimethoxychromen-4-one is sourced from PubChem (CID 10158306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).