1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile

C19H17N5 — CID 167934547

IUPAC1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile
SMILESCCn1nc(-c2nc3cc(C#N)ccc3n2CC)c2ccccc21
InChIInChI=1S/C19H17N5/c1-3-23-17-10-9-13(12-20)11-15(17)21-19(23)18-14-7-5-6-8-16(14)24(4-2)22-18/h5-11H,3-4H2,1-2H3
InChIKeyXMQGXMSOHJGDAC-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.96
Rot. Bonds3

About 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile

1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile (PubChem CID 167934547) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile
PubChem CID167934547
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile
SMILESCCn1nc(-c2nc3cc(C#N)ccc3n2CC)c2ccccc21
InChIInChI=1S/C19H17N5/c1-3-23-17-10-9-13(12-20)11-15(17)21-19(23)18-14-7-5-6-8-16(14)24(4-2)22-18/h5-11H,3-4H2,1-2H3
InChIKeyXMQGXMSOHJGDAC-UHFFFAOYSA-N
XLogP3.96
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
2-(3,5-difluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040108
1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
CID 102922935
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile
CID 102811452
2-(3-chloro-5-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 81315845
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile
CID 65215977
2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65309133
1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104786689
1-ethyl-2-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040248

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile (CID 167934547) is 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile is CCn1nc(-c2nc3cc(C#N)ccc3n2CC)c2ccccc21.
What is the InChIKey of 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile?
The InChIKey is XMQGXMSOHJGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-3-23-17-10-9-13(12-20)11-15(17)21-19(23)18-14-7-5-6-8-16(14)24(4-2)22-18/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile?
1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 167934547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).