3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile

C15H18N4 — CID 104712740

IUPAC3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile
SMILESCn1c(CCN2CCCC2)nc2ccc(C#N)cc21
InChIInChI=1S/C15H18N4/c1-18-14-10-12(11-16)4-5-13(14)17-15(18)6-9-19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3
InChIKeyLFXNWGUUSUWXPZ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.08
Rot. Bonds3

About 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile

3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile (PubChem CID 104712740) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile
PubChem CID104712740
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile
SMILESCn1c(CCN2CCCC2)nc2ccc(C#N)cc21
InChIInChI=1S/C15H18N4/c1-18-14-10-12(11-16)4-5-13(14)17-15(18)6-9-19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3
InChIKeyLFXNWGUUSUWXPZ-UHFFFAOYSA-N
XLogP2.08
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-3-methylbenzimidazole-5-carbonitrile
CID 104712322
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
2-(3-methoxypropyl)-3-methylbenzimidazole-5-carbonitrile
CID 113444267
3-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712445
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
3-methyl-2-[2-(oxan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712752
3-methyl-2-(2-phenoxyethyl)benzimidazole-5-carbonitrile
CID 104712639
3-methyl-2-[(3-methylcyclohexyl)methyl]benzimidazole-5-carbonitrile
CID 143699867
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712269
3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazole-5-carbonitrile
CID 103213093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile (CID 104712740) is 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile is Cn1c(CCN2CCCC2)nc2ccc(C#N)cc21.
What is the InChIKey of 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile?
The InChIKey is LFXNWGUUSUWXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-18-14-10-12(11-16)4-5-13(14)17-15(18)6-9-19-7-2-3-8-19/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile?
3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104712740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).