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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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).