2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile

C16H15N5 — CID 80639228

IUPAC2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile
SMILESCc1cc(CN)cnc1-n1c(CC#N)nc2ccccc21
InChIInChI=1S/C16H15N5/c1-11-8-12(9-18)10-19-16(11)21-14-5-3-2-4-13(14)20-15(21)6-7-17/h2-5,8,10H,6,9,18H2,1H3
InChIKeyNNVCADWSXUUCJZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.25
Rot. Bonds3

About 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile

2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile (PubChem CID 80639228) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile
PubChem CID80639228
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile
SMILESCc1cc(CN)cnc1-n1c(CC#N)nc2ccccc21
InChIInChI=1S/C16H15N5/c1-11-8-12(9-18)10-19-16(11)21-14-5-3-2-4-13(14)20-15(21)6-7-17/h2-5,8,10H,6,9,18H2,1H3
InChIKeyNNVCADWSXUUCJZ-UHFFFAOYSA-N
XLogP2.25
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile (CID 80639228) is 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile is Cc1cc(CN)cnc1-n1c(CC#N)nc2ccccc21.
What is the InChIKey of 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is NNVCADWSXUUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-11-8-12(9-18)10-19-16(11)21-14-5-3-2-4-13(14)20-15(21)6-7-17/h2-5,8,10H,6,9,18H2,1H3.
What are the key properties of 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile?
2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 80639228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).