2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile

C15H13N5 — CID 133414956

IUPAC2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cccc2[nH]c(CNc3ncccc3C#N)nc12
InChIInChI=1S/C15H13N5/c1-10-4-2-6-12-14(10)20-13(19-12)9-18-15-11(8-16)5-3-7-17-15/h2-7H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDVEXDWSMXZSUPI-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.75
Rot. Bonds3

About 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile

2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 133414956) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID133414956
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1cccc2[nH]c(CNc3ncccc3C#N)nc12
InChIInChI=1S/C15H13N5/c1-10-4-2-6-12-14(10)20-13(19-12)9-18-15-11(8-16)5-3-7-17-15/h2-7H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyDVEXDWSMXZSUPI-UHFFFAOYSA-N
XLogP2.75
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462208
3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine
CID 133415000
2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 63311555
2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile
CID 62523720
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133414949
2-[(2-methylphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634504
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70783218
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 133414897
1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine
CID 120971911
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile (CID 133414956) is 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile is Cc1cccc2[nH]c(CNc3ncccc3C#N)nc12.
What is the InChIKey of 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is DVEXDWSMXZSUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-10-4-2-6-12-14(10)20-13(19-12)9-18-15-11(8-16)5-3-7-17-15/h2-7H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133414956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).