3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine

C15H13ClN4 — CID 114716564

IUPAC3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN4/c16-13-4-2-1-3-11(13)9-20-10-19-8-15(20)12-7-18-6-5-14(12)17/h1-8,10H,9H2,(H2,17,18)
InChIKeyXOZDAVIMCWUIPH-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.23
Rot. Bonds3

About 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine

3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine (PubChem CID 114716564) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
PubChem CID114716564
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN4/c16-13-4-2-1-3-11(13)9-20-10-19-8-15(20)12-7-18-6-5-14(12)17/h1-8,10H,9H2,(H2,17,18)
InChIKeyXOZDAVIMCWUIPH-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716960
3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine
CID 106422521
3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine
CID 114718909
3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
CID 114717599
3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114721352
3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 114719696
3-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114721375
3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114717814
3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine
CID 114722229
1-[(2-chlorophenyl)methyl]imidazol-2-amine
CID 54593550
3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 106327236

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine (CID 114716564) is 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1Cc1ccccc1Cl.
What is the InChIKey of 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine?
The InChIKey is XOZDAVIMCWUIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-13-4-2-1-3-11(13)9-20-10-19-8-15(20)12-7-18-6-5-14(12)17/h1-8,10H,9H2,(H2,17,18).
What are the key properties of 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine?
3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine has a molecular weight of 284.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114716564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).