1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine

C20H19ClN6 — CID 149144132

IUPAC1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine
SMILESCCn1c(Cn2ccnc2-c2cccc(Cl)n2)nc2cc(/C=N/C)ccc21
InChIInChI=1S/C20H19ClN6/c1-3-27-17-8-7-14(12-22-2)11-16(17)25-19(27)13-26-10-9-23-20(26)15-5-4-6-18(21)24-15/h4-12H,3,13H2,1-2H3/b22-12+
InChIKeyRJNBGNGFXKCXBK-WSDLNYQXSA-N
MW378.87 g/mol
LogP4.07
Rot. Bonds5

About 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine

1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine (PubChem CID 149144132) has the molecular formula C20H19ClN6 and a molecular weight of 378.87 g/mol. Its IUPAC name is 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine
PubChem CID149144132
Molecular FormulaC20H19ClN6
Molecular Weight378.87 g/mol
Exact Mass378.14
IUPAC Name1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine
SMILESCCn1c(Cn2ccnc2-c2cccc(Cl)n2)nc2cc(/C=N/C)ccc21
InChIInChI=1S/C20H19ClN6/c1-3-27-17-8-7-14(12-22-2)11-16(17)25-19(27)13-26-10-9-23-20(26)15-5-4-6-18(21)24-15/h4-12H,3,13H2,1-2H3/b22-12+
InChIKeyRJNBGNGFXKCXBK-WSDLNYQXSA-N
XLogP4.07
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22380091
1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
CID 70931583
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200
1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile
CID 22379915
1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole
CID 20811938
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide
CID 22379986
1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22380108
3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542840
1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone
CID 59001157
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 22380327

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine?
The IUPAC name of 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine (CID 149144132) is 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine?
The canonical SMILES for 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine is CCn1c(Cn2ccnc2-c2cccc(Cl)n2)nc2cc(/C=N/C)ccc21.
What is the InChIKey of 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine?
The InChIKey is RJNBGNGFXKCXBK-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H19ClN6/c1-3-27-17-8-7-14(12-22-2)11-16(17)25-19(27)13-26-10-9-23-20(26)15-5-4-6-18(21)24-15/h4-12H,3,13H2,1-2H3/b22-12+.
What are the key properties of 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine?
1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine has a molecular weight of 378.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine is sourced from PubChem (CID 149144132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).