3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine

C14H18ClN3O — CID 65022689

IUPAC3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2ccc(OC)c(Cl)c2)c1N
InChIInChI=1S/C14H18ClN3O/c1-3-4-7-18-9-17-13(14(18)16)10-5-6-12(19-2)11(15)8-10/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyBTFBBDRDNYJVJW-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.59
Rot. Bonds5

About 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine

3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine (PubChem CID 65022689) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine
PubChem CID65022689
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2ccc(OC)c(Cl)c2)c1N
InChIInChI=1S/C14H18ClN3O/c1-3-4-7-18-9-17-13(14(18)16)10-5-6-12(19-2)11(15)8-10/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyBTFBBDRDNYJVJW-UHFFFAOYSA-N
XLogP3.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine (CID 65022689) is 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine is CCCCn1cnc(-c2ccc(OC)c(Cl)c2)c1N.
What is the InChIKey of 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine?
The InChIKey is BTFBBDRDNYJVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-4-7-18-9-17-13(14(18)16)10-5-6-12(19-2)11(15)8-10/h5-6,8-9H,3-4,7,16H2,1-2H3.
What are the key properties of 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine?
3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine has a molecular weight of 279.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 65022689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).