2-chloro-4-imidazol-1-yl-5-methylaniline

C10H10ClN3 — CID 115555169

IUPAC2-chloro-4-imidazol-1-yl-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1-n1ccnc1
InChIInChI=1S/C10H10ClN3/c1-7-4-9(12)8(11)5-10(7)14-3-2-13-6-14/h2-6H,12H2,1H3
InChIKeyLRPIOYZVFCVUAY-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.42
Rot. Bonds1

About 2-chloro-4-imidazol-1-yl-5-methylaniline

2-chloro-4-imidazol-1-yl-5-methylaniline (PubChem CID 115555169) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-5-methylaniline
PubChem CID115555169
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-chloro-4-imidazol-1-yl-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1-n1ccnc1
InChIInChI=1S/C10H10ClN3/c1-7-4-9(12)8(11)5-10(7)14-3-2-13-6-14/h2-6H,12H2,1H3
InChIKeyLRPIOYZVFCVUAY-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-imidazol-1-ylbenzene-1,2-diamine
CID 10081805
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
CID 70471993
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
4-imidazol-1-yl-2-methylaniline
CID 14450260
1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole
CID 122388933
4-(azocan-1-yl)-2-chloro-5-methylaniline
CID 113334138
2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline
CID 113334206
(4-imidazol-1-yl-3-methylphenyl)methanol
CID 62122421
3,4-di(imidazol-1-yl)aniline
CID 129289428
2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
6-imidazol-1-yl-5-methylpyridin-3-amine
CID 62475908
1-(4-imidazol-1-yl-3-methylphenyl)butan-2-amine
CID 63817809

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-5-methylaniline?
The IUPAC name of 2-chloro-4-imidazol-1-yl-5-methylaniline (CID 115555169) is 2-chloro-4-imidazol-1-yl-5-methylaniline.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-5-methylaniline?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-5-methylaniline is Cc1cc(N)c(Cl)cc1-n1ccnc1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-5-methylaniline?
The InChIKey is LRPIOYZVFCVUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-4-9(12)8(11)5-10(7)14-3-2-13-6-14/h2-6H,12H2,1H3.
What are the key properties of 2-chloro-4-imidazol-1-yl-5-methylaniline?
2-chloro-4-imidazol-1-yl-5-methylaniline has a molecular weight of 207.66 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-yl-5-methylaniline is sourced from PubChem (CID 115555169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).