(1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine

C19H19ClN4 — CID 143200957

IUPAC(1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine
SMILESC=C(c1cc(Cl)ccc1Cc1ccccn1)[C@@H](N)c1cncn1C
InChIInChI=1S/C19H19ClN4/c1-13(19(21)18-11-22-12-24(18)2)17-10-15(20)7-6-14(17)9-16-5-3-4-8-23-16/h3-8,10-12,19H,1,9,21H2,2H3/t19-/m1/s1
InChIKeyNBLYBFZZHBEQTD-LJQANCHMSA-N
MW338.84 g/mol
LogP3.77
Rot. Bonds5

About (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine

(1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine (PubChem CID 143200957) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine
PubChem CID143200957
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name(1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine
SMILESC=C(c1cc(Cl)ccc1Cc1ccccn1)[C@@H](N)c1cncn1C
InChIInChI=1S/C19H19ClN4/c1-13(19(21)18-11-22-12-24(18)2)17-10-15(20)7-6-14(17)9-16-5-3-4-8-23-16/h3-8,10-12,19H,1,9,21H2,2H3/t19-/m1/s1
InChIKeyNBLYBFZZHBEQTD-LJQANCHMSA-N
XLogP3.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine (CID 143200957) is (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine is C=C(c1cc(Cl)ccc1Cc1ccccn1)[C@@H](N)c1cncn1C.
What is the InChIKey of (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine?
The InChIKey is NBLYBFZZHBEQTD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13(19(21)18-11-22-12-24(18)2)17-10-15(20)7-6-14(17)9-16-5-3-4-8-23-16/h3-8,10-12,19H,1,9,21H2,2H3/t19-/m1/s1.
What are the key properties of (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine?
(1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine has a molecular weight of 338.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 143200957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).