1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile

C15H12ClN5 — CID 115944874

IUPAC1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccc(CNC3CC3)cc2Cl)c1C#N
InChIInChI=1S/C15H12ClN5/c16-12-5-10(8-19-11-2-3-11)1-4-14(12)21-9-20-13(6-17)15(21)7-18/h1,4-5,9,11,19H,2-3,8H2
InChIKeyAVQQZVIBRCAJBF-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile

1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile (PubChem CID 115944874) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
PubChem CID115944874
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccc(CNC3CC3)cc2Cl)c1C#N
InChIInChI=1S/C15H12ClN5/c16-12-5-10(8-19-11-2-3-11)1-4-14(12)21-9-20-13(6-17)15(21)7-18/h1,4-5,9,11,19H,2-3,8H2
InChIKeyAVQQZVIBRCAJBF-UHFFFAOYSA-N
XLogP2.52
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 114854944
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-1,2,4-triazole-3-carbonitrile
CID 81150212
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 81152518
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-1,2,4-triazole-3-carbonitrile
CID 55157728
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
CID 112595275
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
N-[[3-chloro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 81145419
N-[[4-(benzotriazol-1-yl)-3-chlorophenyl]methyl]cyclopropanamine
CID 81144575
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81150118

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile (CID 115944874) is 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ccc(CNC3CC3)cc2Cl)c1C#N.
What is the InChIKey of 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile?
The InChIKey is AVQQZVIBRCAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-12-5-10(8-19-11-2-3-11)1-4-14(12)21-9-20-13(6-17)15(21)7-18/h1,4-5,9,11,19H,2-3,8H2.
What are the key properties of 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile?
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile has a molecular weight of 297.75 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 115944874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).