1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile

C14H10ClN7 — CID 177117820

IUPAC1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile
SMILESCc1ncc(-c2nc(C#N)cn2Cc2ncc(Cl)cn2)cn1
InChIInChI=1S/C14H10ClN7/c1-9-17-3-10(4-18-9)14-21-12(2-16)7-22(14)8-13-19-5-11(15)6-20-13/h3-7H,8H2,1H3
InChIKeyPCLMATWDNCGTHQ-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.01
Rot. Bonds3

About 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile

1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile (PubChem CID 177117820) has the molecular formula C14H10ClN7 and a molecular weight of 311.74 g/mol. Its IUPAC name is 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile
PubChem CID177117820
Molecular FormulaC14H10ClN7
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile
SMILESCc1ncc(-c2nc(C#N)cn2Cc2ncc(Cl)cn2)cn1
InChIInChI=1S/C14H10ClN7/c1-9-17-3-10(4-18-9)14-21-12(2-16)7-22(14)8-13-19-5-11(15)6-20-13/h3-7H,8H2,1H3
InChIKeyPCLMATWDNCGTHQ-UHFFFAOYSA-N
XLogP2.01
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine
CID 177117735
5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 177117738
1-ethyl-2-methylimidazole-4-carbonitrile
CID 139989602
5-chloro-2-[[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842774
8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155369195
6-(6-chloro-3-pyridinyl)-4-(propan-2-ylamino)pyridine-2-carbonitrile
CID 175547486
5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842788
1,2-dimethylimidazole-4-carbonitrile;ethane
CID 143126435
3-(5-methylpyrimidin-2-yl)propanenitrile
CID 170604964
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile
CID 10784589
(5-chloropyrimidin-2-yl)methanethiol
CID 123681158
1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carbonitrile
CID 134178374

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile?
The IUPAC name of 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile (CID 177117820) is 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile.
What is the SMILES notation for 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile?
The canonical SMILES for 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile is Cc1ncc(-c2nc(C#N)cn2Cc2ncc(Cl)cn2)cn1.
What is the InChIKey of 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile?
The InChIKey is PCLMATWDNCGTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN7/c1-9-17-3-10(4-18-9)14-21-12(2-16)7-22(14)8-13-19-5-11(15)6-20-13/h3-7H,8H2,1H3.
What are the key properties of 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile?
1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile has a molecular weight of 311.74 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrimidin-2-yl)methyl]-2-(2-methylpyrimidin-5-yl)imidazole-4-carbonitrile is sourced from PubChem (CID 177117820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).