[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone

C29H30N4O — CID 164624742

IUPAC[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(-c4ccccc4)cc3)c(C)nc12
InChIInChI=1S/C29H30N4O/c1-4-31(5-2)19-20-32-25-13-9-10-14-26(25)33-27(21(3)30-29(32)33)28(34)24-17-15-23(16-18-24)22-11-7-6-8-12-22/h6-18H,4-5,19-20H2,1-3H3
InChIKeyBOTAUGIOASSDMJ-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.84
Rot. Bonds8

About [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone

[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone (PubChem CID 164624742) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone
PubChem CID164624742
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(-c4ccccc4)cc3)c(C)nc12
InChIInChI=1S/C29H30N4O/c1-4-31(5-2)19-20-32-25-13-9-10-14-26(25)33-27(21(3)30-29(32)33)28(34)24-17-15-23(16-18-24)22-11-7-6-8-12-22/h6-18H,4-5,19-20H2,1-3H3
InChIKeyBOTAUGIOASSDMJ-UHFFFAOYSA-N
XLogP5.84
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone 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 [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone (CID 164624742) is [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone is CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(-c4ccccc4)cc3)c(C)nc12.
What is the InChIKey of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is BOTAUGIOASSDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-4-31(5-2)19-20-32-25-13-9-10-14-26(25)33-27(21(3)30-29(32)33)28(34)24-17-15-23(16-18-24)22-11-7-6-8-12-22/h6-18H,4-5,19-20H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone?
[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 450.59 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 164624742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).