2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine

C14H18ClN3 — CID 65233463

IUPAC2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2cccc(Cl)c2)c(C)[nH]1
InChIInChI=1S/C14H18ClN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyJNHYHNVWPJESIW-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.49
Rot. Bonds4

About 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine

2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine (PubChem CID 65233463) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
PubChem CID65233463
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2cccc(Cl)c2)c(C)[nH]1
InChIInChI=1S/C14H18ClN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyJNHYHNVWPJESIW-UHFFFAOYSA-N
XLogP3.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine (CID 65233463) is 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine is CCC(CN)c1nc(-c2cccc(Cl)c2)c(C)[nH]1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is JNHYHNVWPJESIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 65233463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).