N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine

C18H18ClN3 — CID 3635985

IUPACN-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
SMILESCc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)cc1
InChIInChI=1S/C18H18ClN3/c1-13-3-7-15(8-4-13)17-12-21-18(22(17)2)20-11-14-5-9-16(19)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyJDRXDVFIMFYMBY-UHFFFAOYSA-N
MW311.82 g/mol
LogP4.66
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine

N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine (PubChem CID 3635985) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
PubChem CID3635985
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
SMILESCc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)cc1
InChIInChI=1S/C18H18ClN3/c1-13-3-7-15(8-4-13)17-12-21-18(22(17)2)20-11-14-5-9-16(19)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyJDRXDVFIMFYMBY-UHFFFAOYSA-N
XLogP4.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine (CID 3635985) is N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine is Cc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The InChIKey is JDRXDVFIMFYMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c1-13-3-7-15(8-4-13)17-12-21-18(22(17)2)20-11-14-5-9-16(19)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine has a molecular weight of 311.82 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine is sourced from PubChem (CID 3635985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).