(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

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Related Compounds

[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105264531
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
[5-chloro-2-(pyridin-2-ylmethyl)phenyl]methanamine
CID 66161310
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180
2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 83976850
N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
CID 82901884
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide
CID 143201059
N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 23577736
N-[(1R)-2-[5-chloro-2-[2-[[(Z)-prop-1-enyl]amino]but-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide
CID 143201091
2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
CID 114703272

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).