5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile

C17H14ClN5 — CID 133466787

IUPAC5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2nc3ccccc3n2C2CC2)c(Cl)c1
InChIInChI=1S/C17H14ClN5/c18-13-7-11(8-19)9-20-17(13)21-10-16-22-14-3-1-2-4-15(14)23(16)12-5-6-12/h1-4,7,9,12H,5-6,10H2,(H,20,21)
InChIKeyKAUJGZFTDHCABC-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile

5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 133466787) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID133466787
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2nc3ccccc3n2C2CC2)c(Cl)c1
InChIInChI=1S/C17H14ClN5/c18-13-7-11(8-19)9-20-17(13)21-10-16-22-14-3-1-2-4-15(14)23(16)12-5-6-12/h1-4,7,9,12H,5-6,10H2,(H,20,21)
InChIKeyKAUJGZFTDHCABC-UHFFFAOYSA-N
XLogP3.90
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[(1-cyclopropylbenzimidazol-2-yl)methylamino]quinoline-4-carbonitrile
CID 133466696
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one
CID 133466705
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133466685
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133466669
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 58554205
5-chloro-6-[2-(1H-pyrrol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 84598906
2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
CID 104715274
1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile (CID 133466787) is 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCc2nc3ccccc3n2C2CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is KAUJGZFTDHCABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c18-13-7-11(8-19)9-20-17(13)21-10-16-22-14-3-1-2-4-15(14)23(16)12-5-6-12/h1-4,7,9,12H,5-6,10H2,(H,20,21).
What are the key properties of 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 323.79 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-cyclopropylbenzimidazol-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133466787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).