2-chloro-N-(imidazol-1-ylmethyl)aniline

C10H10ClN3 — CID 70466105

IUPAC2-chloro-N-(imidazol-1-ylmethyl)aniline
SMILESClc1ccccc1NCn1ccnc1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-2-4-10(9)13-8-14-6-5-12-7-14/h1-7,13H,8H2
InChIKeyGNUHPIFVUVXKPE-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.61
Rot. Bonds3

About 2-chloro-N-(imidazol-1-ylmethyl)aniline

2-chloro-N-(imidazol-1-ylmethyl)aniline (PubChem CID 70466105) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-N-(imidazol-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(imidazol-1-ylmethyl)aniline
PubChem CID70466105
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-chloro-N-(imidazol-1-ylmethyl)aniline
SMILESClc1ccccc1NCn1ccnc1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-2-4-10(9)13-8-14-6-5-12-7-14/h1-7,13H,8H2
InChIKeyGNUHPIFVUVXKPE-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(imidazol-1-ylmethyl)aniline 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

N-(imidazol-1-ylmethyl)-2-methylaniline
CID 70250934
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
2-chloro-1-N-(2-imidazol-1-ylethyl)benzene-1,4-diamine
CID 61324074
3-chloro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325720
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
1-(2,6-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
1-[(2-chloroanilino)methyl]pyrrolidine-2,5-dione
CID 761544
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(imidazol-1-ylmethyl)aniline?
The IUPAC name of 2-chloro-N-(imidazol-1-ylmethyl)aniline (CID 70466105) is 2-chloro-N-(imidazol-1-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-N-(imidazol-1-ylmethyl)aniline?
The canonical SMILES for 2-chloro-N-(imidazol-1-ylmethyl)aniline is Clc1ccccc1NCn1ccnc1.
What is the InChIKey of 2-chloro-N-(imidazol-1-ylmethyl)aniline?
The InChIKey is GNUHPIFVUVXKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-3-1-2-4-10(9)13-8-14-6-5-12-7-14/h1-7,13H,8H2.
What are the key properties of 2-chloro-N-(imidazol-1-ylmethyl)aniline?
2-chloro-N-(imidazol-1-ylmethyl)aniline has a molecular weight of 207.66 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(imidazol-1-ylmethyl)aniline is sourced from PubChem (CID 70466105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).