4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine

C17H12ClN5 — CID 6538740

IUPAC4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-n3cnc4ccccc43)n2)c1
InChIInChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-9-8-16(22-17)23-11-20-14-6-1-2-7-15(14)23/h1-11H,(H,19,21,22)
InChIKeyVTLJOVYRGQXDDG-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.21
Rot. Bonds3

About 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine

4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine (PubChem CID 6538740) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine
PubChem CID6538740
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESClc1cccc(Nc2nccc(-n3cnc4ccccc43)n2)c1
InChIInChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-9-8-16(22-17)23-11-20-14-6-1-2-7-15(14)23/h1-11H,(H,19,21,22)
InChIKeyVTLJOVYRGQXDDG-UHFFFAOYSA-N
XLogP4.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine 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

Falnidamol
CID 6918508
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
CID 2856
Cgp74514A
CID 2794188
6-Chloro-2-(2-pyridinyl)-1H-benzimidazole
CID 186763
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
IRAK4 inhibitor rac-45
CID 25169383
N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
T-808
CID 53339381
1-phenyl-1H-imidazo[4,5-c]pyridine
CID 5328473

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine (CID 6538740) is 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine is Clc1cccc(Nc2nccc(-n3cnc4ccccc43)n2)c1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The InChIKey is VTLJOVYRGQXDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-9-8-16(22-17)23-11-20-14-6-1-2-7-15(14)23/h1-11H,(H,19,21,22).
What are the key properties of 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine?
4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine has a molecular weight of 321.77 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(3-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 6538740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).