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

C15H20ClN3 — CID 79813477

IUPAC3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cccc(Cl)c2)c(C)[nH]1
InChIInChI=1S/C15H20ClN3/c1-4-15(17,5-2)14-18-10(3)13(19-14)11-7-6-8-12(16)9-11/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyWWKWNKBBWQUHAT-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.01
Rot. Bonds4

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

3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine (PubChem CID 79813477) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine
PubChem CID79813477
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cccc(Cl)c2)c(C)[nH]1
InChIInChI=1S/C15H20ClN3/c1-4-15(17,5-2)14-18-10(3)13(19-14)11-7-6-8-12(16)9-11/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyWWKWNKBBWQUHAT-UHFFFAOYSA-N
XLogP4.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine (CID 79813477) is 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine is CCC(N)(CC)c1nc(-c2cccc(Cl)c2)c(C)[nH]1.
What is the InChIKey of 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine?
The InChIKey is WWKWNKBBWQUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-15(17,5-2)14-18-10(3)13(19-14)11-7-6-8-12(16)9-11/h6-9H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine?
3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine has a molecular weight of 277.80 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine is sourced from PubChem (CID 79813477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).