2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile

C16H15N5 — CID 63640165

IUPAC2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile
SMILESCNc1ccc(Cn2c(CC#N)nc3ccccc32)cn1
InChIInChI=1S/C16H15N5/c1-18-15-7-6-12(10-19-15)11-21-14-5-3-2-4-13(14)20-16(21)8-9-17/h2-7,10H,8,11H2,1H3,(H,18,19)
InChIKeySKMDJIGVBOYNJY-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile

2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile (PubChem CID 63640165) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile
PubChem CID63640165
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile
SMILESCNc1ccc(Cn2c(CC#N)nc3ccccc32)cn1
InChIInChI=1S/C16H15N5/c1-18-15-7-6-12(10-19-15)11-21-14-5-3-2-4-13(14)20-16(21)8-9-17/h2-7,10H,8,11H2,1H3,(H,18,19)
InChIKeySKMDJIGVBOYNJY-UHFFFAOYSA-N
XLogP2.59
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile
CID 63640515
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838
2-[1-[(3-amino-4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 115557365
2-[1-[(3-bromo-4-fluorophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638084
2-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 139624260
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(methylamino)propanenitrile
CID 63641541
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[1-[(3-amino-5-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 103350130
2-[1-(3-bromo-2,2-dimethylpropyl)benzimidazol-2-yl]acetonitrile
CID 64995436
1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one
CID 62374868
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile (CID 63640165) is 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile is CNc1ccc(Cn2c(CC#N)nc3ccccc32)cn1.
What is the InChIKey of 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is SKMDJIGVBOYNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-18-15-7-6-12(10-19-15)11-21-14-5-3-2-4-13(14)20-16(21)8-9-17/h2-7,10H,8,11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile?
2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63640165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).