6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile

C17H17N5 — CID 122132143

IUPAC6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
SMILESCn1c(CCCNc2cccc(C#N)n2)nc2ccccc21
InChIInChI=1S/C17H17N5/c1-22-15-8-3-2-7-14(15)21-17(22)10-5-11-19-16-9-4-6-13(12-18)20-16/h2-4,6-9H,5,10-11H2,1H3,(H,19,20)
InChIKeyJTYMNVKPZJZOST-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.88
Rot. Bonds5

About 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile

6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile (PubChem CID 122132143) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
PubChem CID122132143
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
SMILESCn1c(CCCNc2cccc(C#N)n2)nc2ccccc21
InChIInChI=1S/C17H17N5/c1-22-15-8-3-2-7-14(15)21-17(22)10-5-11-19-16-9-4-6-13(12-18)20-16/h2-4,6-9H,5,10-11H2,1H3,(H,19,20)
InChIKeyJTYMNVKPZJZOST-UHFFFAOYSA-N
XLogP2.88
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
CID 133346689
6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133392620
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
CID 133461518
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-methylsulfanylpyridazin-3-amine
CID 133346760
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
CID 133346675
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile (CID 122132143) is 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile is Cn1c(CCCNc2cccc(C#N)n2)nc2ccccc21.
What is the InChIKey of 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile?
The InChIKey is JTYMNVKPZJZOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-22-15-8-3-2-7-14(15)21-17(22)10-5-11-19-16-9-4-6-13(12-18)20-16/h2-4,6-9H,5,10-11H2,1H3,(H,19,20).
What are the key properties of 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile?
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 122132143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).