1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile

C19H16N6 — CID 22380091

IUPAC1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(Cn2ccnc2-c2ccccn2)nc2cc(C#N)ccc21
InChIInChI=1S/C19H16N6/c1-2-25-17-7-6-14(12-20)11-16(17)23-18(25)13-24-10-9-22-19(24)15-5-3-4-8-21-15/h3-11H,2,13H2,1H3
InChIKeyUFDGBPWAUJUWFJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.23
Rot. Bonds4

About 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile

1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile (PubChem CID 22380091) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
PubChem CID22380091
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(Cn2ccnc2-c2ccccn2)nc2cc(C#N)ccc21
InChIInChI=1S/C19H16N6/c1-2-25-17-7-6-14(12-20)11-16(17)23-18(25)13-24-10-9-22-19(24)15-5-3-4-8-21-15/h3-11H,2,13H2,1H3
InChIKeyUFDGBPWAUJUWFJ-UHFFFAOYSA-N
XLogP3.23
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile
CID 22379915
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22380108
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile
CID 22379972
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
1-[2-[[2-(6-chloro-2-pyridinyl)imidazol-1-yl]methyl]-1-ethylbenzimidazol-5-yl]-N-methylmethanimine
CID 149144132
1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
CID 70931583
2-butyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040583
1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole
CID 20811938
3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile
CID 22380177
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile (CID 22380091) is 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile is CCn1c(Cn2ccnc2-c2ccccn2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is UFDGBPWAUJUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-2-25-17-7-6-14(12-20)11-16(17)23-18(25)13-24-10-9-22-19(24)15-5-3-4-8-21-15/h3-11H,2,13H2,1H3.
What are the key properties of 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile?
1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 328.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 22380091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).