(3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

C20H15N5 — CID 909835

IUPAC(3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
SMILESCc1ccccc1[C@@H]1C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12
InChIInChI=1S/C20H15N5/c1-12-6-2-3-7-13(12)18-14(10-21)19(23)25-17-9-5-4-8-16(17)24-20(25)15(18)11-22/h2-9,18,24H,23H2,1H3/t18-/m1/s1
InChIKeyBJTZMBCUUHGMNF-GOSISDBHSA-N
MW325.38 g/mol
LogP3.45
Rot. Bonds1

About (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

(3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile (PubChem CID 909835) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile.

Molecular Properties

Compound Name(3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
PubChem CID909835
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name(3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
SMILESCc1ccccc1[C@@H]1C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12
InChIInChI=1S/C20H15N5/c1-12-6-2-3-7-13(12)18-14(10-21)19(23)25-17-9-5-4-8-16(17)24-20(25)15(18)11-22/h2-9,18,24H,23H2,1H3/t18-/m1/s1
InChIKeyBJTZMBCUUHGMNF-GOSISDBHSA-N
XLogP3.45
TPSA88.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-amino-3-thiophen-2-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 911778
(3S)-1-amino-3-(4-chlorophenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 911388
(3S)-1-amino-3-thiophen-3-yl-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 911745
2-amino-4-(2-methylphenyl)-5-oxo-1-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23969940
N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
CID 23914121
(4S)-2-amino-6-ethyl-4-(2-methylphenyl)-5,5-dioxo-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
CID 92690275
(4R)-2-amino-6-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)-5,5-dioxo-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
CID 92690305
2-amino-7,7-dimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 22331124
ethyl (2E,3R,4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethylidene)-4-(2-methylphenyl)-1-phenyl-3,4-dihydropyridine-3-carboxylate
CID 70676566
2-[[6-amino-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide
CID 3630816
5-amino-3-benzoyl-1-(2-methylphenyl)-2,3-dihydropyrrole-4-carbonitrile
CID 175605812
2-amino-4-(5-bromothiophen-2-yl)-1-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4681821

Frequently Asked Questions

What is the IUPAC name of (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The IUPAC name of (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile (CID 909835) is (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile.
What is the SMILES notation for (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The canonical SMILES for (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile is Cc1ccccc1[C@@H]1C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12.
What is the InChIKey of (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The InChIKey is BJTZMBCUUHGMNF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H15N5/c1-12-6-2-3-7-13(12)18-14(10-21)19(23)25-17-9-5-4-8-16(17)24-20(25)15(18)11-22/h2-9,18,24H,23H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
(3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile has a molecular weight of 325.38 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-amino-3-(2-methylphenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile is sourced from PubChem (CID 909835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).