2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline

C10H10ClN3 — CID 82470505

IUPAC2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline
SMILESCc1cnc(-c2ccc(Cl)c(N)c2)[nH]1
InChIInChI=1S/C10H10ClN3/c1-6-5-13-10(14-6)7-2-3-8(11)9(12)4-7/h2-5H,12H2,1H3,(H,13,14)
InChIKeyOGULOEUQSVJKAY-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.62
Rot. Bonds1

About 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline

2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline (PubChem CID 82470505) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline
PubChem CID82470505
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline
SMILESCc1cnc(-c2ccc(Cl)c(N)c2)[nH]1
InChIInChI=1S/C10H10ClN3/c1-6-5-13-10(14-6)7-2-3-8(11)9(12)4-7/h2-5H,12H2,1H3,(H,13,14)
InChIKeyOGULOEUQSVJKAY-UHFFFAOYSA-N
XLogP2.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-5-(5-methyl-1H-imidazol-2-yl)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

2-chloro-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79795619
5-(2-tert-butyl-1H-imidazol-5-yl)-2-chloroaniline
CID 115046610
2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
CID 44512575
ethane;5-methyl-2-phenyl-1H-imidazole
CID 145236732
2,6-dimethyl-4-(5-methyl-1H-imidazol-2-yl)pyridine
CID 107504185
2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 82476781
2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline
CID 102706436
4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline
CID 165056409
4-(5-methyl-1H-imidazol-2-yl)benzoic acid
CID 57290207
5-(5-tert-butyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394671
5-(3-amino-4-chlorophenyl)pyrimidine-2,4-diamine
CID 54443676
2-(3,4-dichlorophenyl)-5-phenyl-1H-imidazole
CID 23103021

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline?
The IUPAC name of 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline (CID 82470505) is 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline?
The canonical SMILES for 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline is Cc1cnc(-c2ccc(Cl)c(N)c2)[nH]1.
What is the InChIKey of 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline?
The InChIKey is OGULOEUQSVJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-6-5-13-10(14-6)7-2-3-8(11)9(12)4-7/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline?
2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline has a molecular weight of 207.66 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 82470505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).