1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile

C24H21N5 — CID 10271083

IUPAC1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile
SMILESCc1cccc(C)c1CNc1ccc(-n2cc(-c3cccnc3)nc2C#N)cc1
InChIInChI=1S/C24H21N5/c1-17-5-3-6-18(2)22(17)15-27-20-8-10-21(11-9-20)29-16-23(28-24(29)13-25)19-7-4-12-26-14-19/h3-12,14,16,27H,15H2,1-2H3
InChIKeyOUYUKBCJZYKUCH-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.03
Rot. Bonds5

About 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile

1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile (PubChem CID 10271083) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile
PubChem CID10271083
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile
SMILESCc1cccc(C)c1CNc1ccc(-n2cc(-c3cccnc3)nc2C#N)cc1
InChIInChI=1S/C24H21N5/c1-17-5-3-6-18(2)22(17)15-27-20-8-10-21(11-9-20)29-16-23(28-24(29)13-25)19-7-4-12-26-14-19/h3-12,14,16,27H,15H2,1-2H3
InChIKeyOUYUKBCJZYKUCH-UHFFFAOYSA-N
XLogP5.03
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile
CID 18425868
1-[4-[[6-[3-(1,3-dioxolan-2-yl)propoxy]-3-pyridinyl]methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile
CID 10299591
N-[(2-chloro-6-fluorophenyl)methyl]-4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)aniline
CID 18677149
N-ethyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-6-amine
CID 82059752
N-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylsulfanyl-3-pyridin-3-ylpyrazol-1-yl)aniline
CID 18677158
2,6-dipyridin-3-ylpyridine
CID 13349632
3-methyl-2-(pyridin-3-ylmethylamino)benzonitrile
CID 107106421
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine
CID 136522931
8-methyl-2-pyridin-3-ylquinoline
CID 125496977
2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
CID 116890180
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile
CID 18677104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile?
The IUPAC name of 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile (CID 10271083) is 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile.
What is the SMILES notation for 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile?
The canonical SMILES for 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile is Cc1cccc(C)c1CNc1ccc(-n2cc(-c3cccnc3)nc2C#N)cc1.
What is the InChIKey of 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile?
The InChIKey is OUYUKBCJZYKUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c1-17-5-3-6-18(2)22(17)15-27-20-8-10-21(11-9-20)29-16-23(28-24(29)13-25)19-7-4-12-26-14-19/h3-12,14,16,27H,15H2,1-2H3.
What are the key properties of 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile?
1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile has a molecular weight of 379.47 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile is sourced from PubChem (CID 10271083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).