4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide

C22H19N5O — CID 19259232

IUPAC4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide
SMILESCC(C)c1cc(Nc2ccc(C(N)=O)cc2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C22H19N5O/c1-13(2)16-11-20(25-15-9-7-14(8-10-15)21(24)28)27-19-6-4-3-5-18(19)26-22(27)17(16)12-23/h3-11,13,25H,1-2H3,(H2,24,28)
InChIKeyZMEGDBAPZSMRKK-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.33
Rot. Bonds4

About 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide

4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide (PubChem CID 19259232) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide
PubChem CID19259232
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide
SMILESCC(C)c1cc(Nc2ccc(C(N)=O)cc2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C22H19N5O/c1-13(2)16-11-20(25-15-9-7-14(8-10-15)21(24)28)27-19-6-4-3-5-18(19)26-22(27)17(16)12-23/h3-11,13,25H,1-2H3,(H2,24,28)
InChIKeyZMEGDBAPZSMRKK-UHFFFAOYSA-N
XLogP4.33
TPSA96.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopentylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 935605
1-(octylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3751757
(E)-3-[3-[(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]prop-2-enoic acid
CID 6088996
1-(4-bromoanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3298534
1-(4-methoxyanilino)-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 155516366
1-(4-methylsulfonylanilino)-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 155533975
1-(2-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 950637
1-(4-butylanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3738495
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133272544
1-(3,4-dichloroanilino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259176
1-[3-(trifluoromethoxy)anilino]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 155539337
1-(3-chloro-4-methylanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 23941057

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide?
The IUPAC name of 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide (CID 19259232) is 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide?
The canonical SMILES for 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide is CC(C)c1cc(Nc2ccc(C(N)=O)cc2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide?
The InChIKey is ZMEGDBAPZSMRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-13(2)16-11-20(25-15-9-7-14(8-10-15)21(24)28)27-19-6-4-3-5-18(19)26-22(27)17(16)12-23/h3-11,13,25H,1-2H3,(H2,24,28).
What are the key properties of 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide?
4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide has a molecular weight of 369.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-3-propan-2-ylpyrido[1,2-a]benzimidazol-1-yl)amino]benzamide is sourced from PubChem (CID 19259232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).