N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine

C18H18ClN3O — CID 4669028

IUPACN-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine
SMILESCOc1cccc(-c2cnc(NCc3ccccc3Cl)n2C)c1
InChIInChI=1S/C18H18ClN3O/c1-22-17(13-7-5-8-15(10-13)23-2)12-21-18(22)20-11-14-6-3-4-9-16(14)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyKEXCJFCOJYTHOM-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.36
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine

N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine (PubChem CID 4669028) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine
PubChem CID4669028
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine
SMILESCOc1cccc(-c2cnc(NCc3ccccc3Cl)n2C)c1
InChIInChI=1S/C18H18ClN3O/c1-22-17(13-7-5-8-15(10-13)23-2)12-21-18(22)20-11-14-6-3-4-9-16(14)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyKEXCJFCOJYTHOM-UHFFFAOYSA-N
XLogP4.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine (CID 4669028) is N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine is COc1cccc(-c2cnc(NCc3ccccc3Cl)n2C)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine?
The InChIKey is KEXCJFCOJYTHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-22-17(13-7-5-8-15(10-13)23-2)12-21-18(22)20-11-14-6-3-4-9-16(14)19/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine?
N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine has a molecular weight of 327.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 4669028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).