1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile

C11H9ClN4 — CID 81155464

IUPAC1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1ccc(CN)cc1Cl
InChIInChI=1S/C11H9ClN4/c12-9-5-8(6-13)1-2-10(9)16-4-3-15-11(16)7-14/h1-5H,6,13H2
InChIKeyXNVKNGFXWJGSCW-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.86
Rot. Bonds2

About 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile

1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile (PubChem CID 81155464) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile
PubChem CID81155464
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1ccc(CN)cc1Cl
InChIInChI=1S/C11H9ClN4/c12-9-5-8(6-13)1-2-10(9)16-4-3-15-11(16)7-14/h1-5H,6,13H2
InChIKeyXNVKNGFXWJGSCW-UHFFFAOYSA-N
XLogP1.86
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile (CID 81155464) is 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile is N#Cc1nccn1-c1ccc(CN)cc1Cl.
What is the InChIKey of 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile?
The InChIKey is XNVKNGFXWJGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-9-5-8(6-13)1-2-10(9)16-4-3-15-11(16)7-14/h1-5H,6,13H2.
What are the key properties of 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile?
1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile has a molecular weight of 232.67 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-chlorophenyl]imidazole-2-carbonitrile is sourced from PubChem (CID 81155464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).