6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile

C23H20FN5 — CID 110194457

IUPAC6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile
SMILESCc1ccc2nc(CCCNc3nc(-c4ccc(F)cc4)ccc3C#N)[nH]c2c1
InChIInChI=1S/C23H20FN5/c1-15-4-10-20-21(13-15)28-22(27-20)3-2-12-26-23-17(14-25)7-11-19(29-23)16-5-8-18(24)9-6-16/h4-11,13H,2-3,12H2,1H3,(H,26,29)(H,27,28)
InChIKeyIIBLRLXBZQFHCH-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.99
Rot. Bonds6

About 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile

6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile (PubChem CID 110194457) has the molecular formula C23H20FN5 and a molecular weight of 385.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile
PubChem CID110194457
Molecular FormulaC23H20FN5
Molecular Weight385.45 g/mol
Exact Mass385.17
IUPAC Name6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile
SMILESCc1ccc2nc(CCCNc3nc(-c4ccc(F)cc4)ccc3C#N)[nH]c2c1
InChIInChI=1S/C23H20FN5/c1-15-4-10-20-21(13-15)28-22(27-20)3-2-12-26-23-17(14-25)7-11-19(29-23)16-5-8-18(24)9-6-16/h4-11,13H,2-3,12H2,1H3,(H,26,29)(H,27,28)
InChIKeyIIBLRLXBZQFHCH-UHFFFAOYSA-N
XLogP4.99
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile
CID 110194467
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-6-(4-fluorophenyl)-3-nitropyridin-2-amine
CID 110194513
2-[(6-methyl-1H-benzimidazol-2-yl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile
CID 1006253
ethyl 2-[3-[[3-cyano-6-(4-fluorophenyl)-2-pyridinyl]amino]propyl]-1-methylbenzimidazole-5-carboxylate
CID 110194461
N-[4-(1H-benzimidazol-2-yl)butyl]-6-(4-fluorophenyl)-3-nitropyridin-2-amine
CID 110194505
4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile
CID 133378485
4-[3-(1H-benzimidazol-2-yl)propylamino]-2-chlorobenzonitrile
CID 133359345
6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
CID 62197922
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
2-(ethylamino)-6-(3-methylphenyl)pyridine-3-carbonitrile
CID 62196307
6-(4-methylphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 82119525

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile (CID 110194457) is 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile is Cc1ccc2nc(CCCNc3nc(-c4ccc(F)cc4)ccc3C#N)[nH]c2c1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile?
The InChIKey is IIBLRLXBZQFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5/c1-15-4-10-20-21(13-15)28-22(27-20)3-2-12-26-23-17(14-25)7-11-19(29-23)16-5-8-18(24)9-6-16/h4-11,13H,2-3,12H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile?
6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile has a molecular weight of 385.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[3-(6-methyl-1H-benzimidazol-2-yl)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 110194457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).