2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine

C13H15ClFN3 — CID 67264906

IUPAC2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cnc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H15ClFN3/c1-17(2)5-6-18-8-13(16-9-18)10-3-4-12(15)11(14)7-10/h3-4,7-9H,5-6H2,1-2H3
InChIKeyBKWCCUMGBGQTHN-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.90
Rot. Bonds4

About 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine

2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 67264906) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID67264906
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cnc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H15ClFN3/c1-17(2)5-6-18-8-13(16-9-18)10-3-4-12(15)11(14)7-10/h3-4,7-9H,5-6H2,1-2H3
InChIKeyBKWCCUMGBGQTHN-UHFFFAOYSA-N
XLogP2.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Midazolam
CID 4192
Midazolam Hydrochloride
CID 43032
Basimglurant
CID 11438771
4-(4-Chlorophenyl)Imidazole
CID 448632
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-(4-chlorobenzyl)-1H-imidazole
CID 2779191
1-(3-Chlorobenzyl)imidazole
CID 12229386
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
5-[(Imidazol-1-yl)methyl]-7,8-dihydroquinoline
CID 10774864
1-(4-Cyanobenzyl)-5-(3-fluorophenyl)-1H-imidazole
CID 44206698

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine (CID 67264906) is 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cnc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is BKWCCUMGBGQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-17(2)5-6-18-8-13(16-9-18)10-3-4-12(15)11(14)7-10/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine?
2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 67264906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).