2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole

C17H10Cl2N4 — CID 53329844

IUPAC2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole
SMILESClc1ccc(-c2cc(-c3nc4ccccc4[nH]3)ncn2)cc1Cl
InChIInChI=1S/C17H10Cl2N4/c18-11-6-5-10(7-12(11)19)15-8-16(21-9-20-15)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,22,23)
InChIKeyJMGZKBUMZTWCTN-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.99
Rot. Bonds2

About 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole

2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole (PubChem CID 53329844) has the molecular formula C17H10Cl2N4 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole
PubChem CID53329844
Molecular FormulaC17H10Cl2N4
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole
SMILESClc1ccc(-c2cc(-c3nc4ccccc4[nH]3)ncn2)cc1Cl
InChIInChI=1S/C17H10Cl2N4/c18-11-6-5-10(7-12(11)19)15-8-16(21-9-20-15)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,22,23)
InChIKeyJMGZKBUMZTWCTN-UHFFFAOYSA-N
XLogP4.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-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-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
CID 76845877
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
4-(1H-benzimidazol-2-yl)-2-chloro-6-methylaniline
CID 139992920
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole (CID 53329844) is 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole is Clc1ccc(-c2cc(-c3nc4ccccc4[nH]3)ncn2)cc1Cl.
What is the InChIKey of 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole?
The InChIKey is JMGZKBUMZTWCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4/c18-11-6-5-10(7-12(11)19)15-8-16(21-9-20-15)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,22,23).
What are the key properties of 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole?
2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole has a molecular weight of 341.20 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 53329844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).