3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile

C14H16N4 — CID 84629732

IUPAC3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
SMILESCn1c(CC2CCNC2)nc2ccc(C#N)cc21
InChIInChI=1S/C14H16N4/c1-18-13-6-10(8-15)2-3-12(13)17-14(18)7-11-4-5-16-9-11/h2-3,6,11,16H,4-5,7,9H2,1H3
InChIKeyLDOVQBLCTZSIJK-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.60
Rot. Bonds2

About 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile

3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile (PubChem CID 84629732) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
PubChem CID84629732
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
SMILESCn1c(CC2CCNC2)nc2ccc(C#N)cc21
InChIInChI=1S/C14H16N4/c1-18-13-6-10(8-15)2-3-12(13)17-14(18)7-11-4-5-16-9-11/h2-3,6,11,16H,4-5,7,9H2,1H3
InChIKeyLDOVQBLCTZSIJK-UHFFFAOYSA-N
XLogP1.60
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858069
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
3-methyl-2-[(3-methylcyclohexyl)methyl]benzimidazole-5-carbonitrile
CID 143699867
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazol-5-ol
CID 83858071
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712269
3-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carbonitrile
CID 104712740
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
3-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712445
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile (CID 84629732) is 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile is Cn1c(CC2CCNC2)nc2ccc(C#N)cc21.
What is the InChIKey of 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile?
The InChIKey is LDOVQBLCTZSIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-13-6-10(8-15)2-3-12(13)17-14(18)7-11-4-5-16-9-11/h2-3,6,11,16H,4-5,7,9H2,1H3.
What are the key properties of 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile?
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 84629732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).