4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole

C27H20N4 — CID 90644878

IUPAC4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2nc3ccccc3n12
InChIInChI=1S/C27H20N4/c1-18-24(23-16-17-28-27-30-21-14-8-9-15-22(21)31(23)27)25(19-10-4-2-5-11-19)26(29-18)20-12-6-3-7-13-20/h2-17,29H,1H3
InChIKeyGHJCFDISWJGCBY-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.52
Rot. Bonds3

About 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole

4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole (PubChem CID 90644878) has the molecular formula C27H20N4 and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole
PubChem CID90644878
Molecular FormulaC27H20N4
Molecular Weight400.49 g/mol
Exact Mass400.17
IUPAC Name4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2nc3ccccc3n12
InChIInChI=1S/C27H20N4/c1-18-24(23-16-17-28-27-30-21-14-8-9-15-22(21)31(23)27)25(19-10-4-2-5-11-19)26(29-18)20-12-6-3-7-13-20/h2-17,29H,1H3
InChIKeyGHJCFDISWJGCBY-UHFFFAOYSA-N
XLogP6.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole 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

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Lerisetron
CID 65997
Mavorixafor
CID 11256587
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Miransertib
CID 53262401
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
PF-4708671
CID 51371303
Apto-253
CID 11960271
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
Ralimetinib
CID 11539025

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole (CID 90644878) is 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole is Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2nc3ccccc3n12.
What is the InChIKey of 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole?
The InChIKey is GHJCFDISWJGCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4/c1-18-24(23-16-17-28-27-30-21-14-8-9-15-22(21)31(23)27)25(19-10-4-2-5-11-19)26(29-18)20-12-6-3-7-13-20/h2-17,29H,1H3.
What are the key properties of 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole?
4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole has a molecular weight of 400.49 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 90644878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).