1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride

C19H14Cl2N4 — CID 22736683

IUPAC1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
SMILESCl.Clc1cc(-n2c(/C=C/c3ccccc3)nc3ccccc32)ncn1
InChIInChI=1S/C19H13ClN4.ClH/c20-17-12-19(22-13-21-17)24-16-9-5-4-8-15(16)23-18(24)11-10-14-6-2-1-3-7-14;/h1-13H;1H/b11-10+;
InChIKeyZBFBVFFLHBMONU-ASTDGNLGSA-N
MW369.26 g/mol
LogP5.06
Rot. Bonds3

About 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride

1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride (PubChem CID 22736683) has the molecular formula C19H14Cl2N4 and a molecular weight of 369.26 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
PubChem CID22736683
Molecular FormulaC19H14Cl2N4
Molecular Weight369.26 g/mol
Exact Mass368.06
IUPAC Name1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
SMILESCl.Clc1cc(-n2c(/C=C/c3ccccc3)nc3ccccc32)ncn1
InChIInChI=1S/C19H13ClN4.ClH/c20-17-12-19(22-13-21-17)24-16-9-5-4-8-15(16)23-18(24)11-10-14-6-2-1-3-7-14;/h1-13H;1H/b11-10+;
InChIKeyZBFBVFFLHBMONU-ASTDGNLGSA-N
XLogP5.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride 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

1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687
1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
CID 22736649
2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
CID 22736645
4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline
CID 170794695
2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
CID 22736743
1-phenyl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole
CID 67621656
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole
CID 22736777
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline
CID 21357057
3-(6-chloropyrimidin-4-yl)-1H-benzimidazol-2-one
CID 87584662

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride (CID 22736683) is 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride is Cl.Clc1cc(-n2c(/C=C/c3ccccc3)nc3ccccc32)ncn1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride?
The InChIKey is ZBFBVFFLHBMONU-ASTDGNLGSA-N. The full InChI is InChI=1S/C19H13ClN4.ClH/c20-17-12-19(22-13-21-17)24-16-9-5-4-8-15(16)23-18(24)11-10-14-6-2-1-3-7-14;/h1-13H;1H/b11-10+;.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride?
1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride has a molecular weight of 369.26 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride is sourced from PubChem (CID 22736683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).