1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile

C14H11N5 — CID 102922935

IUPAC1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
SMILESCCn1c(-c2cncnc2)nc2cc(C#N)ccc21
InChIInChI=1S/C14H11N5/c1-2-19-13-4-3-10(6-15)5-12(13)18-14(19)11-7-16-9-17-8-11/h3-5,7-9H,2H2,1H3
InChIKeyOFSFNRALFGUSJG-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.38
Rot. Bonds2

About 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile

1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile (PubChem CID 102922935) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
PubChem CID102922935
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
SMILESCCn1c(-c2cncnc2)nc2cc(C#N)ccc21
InChIInChI=1S/C14H11N5/c1-2-19-13-4-3-10(6-15)5-12(13)18-14(19)11-7-16-9-17-8-11/h3-5,7-9H,2H2,1H3
InChIKeyOFSFNRALFGUSJG-UHFFFAOYSA-N
XLogP2.38
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104786689
2-(3,5-difluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040108
2-(3-chloro-5-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 81315845
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile
CID 75391041
2-(3-bromo-5-chlorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 107941809
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile
CID 102811452
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile
CID 65215977

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile (CID 102922935) is 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile is CCn1c(-c2cncnc2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile?
The InChIKey is OFSFNRALFGUSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-2-19-13-4-3-10(6-15)5-12(13)18-14(19)11-7-16-9-17-8-11/h3-5,7-9H,2H2,1H3.
What are the key properties of 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile?
1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 102922935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).