N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine

C19H14ClFN4 — CID 155569038

IUPACN-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine
SMILESFc1ccc(-c2cc3nc(NCc4ccccc4)[nH]c3cn2)cc1Cl
InChIInChI=1S/C19H14ClFN4/c20-14-8-13(6-7-15(14)21)16-9-17-18(11-22-16)25-19(24-17)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,23,24,25)
InChIKeyORGWPACGZKKYPA-UHFFFAOYSA-N
MW352.80 g/mol
LogP5.03
Rot. Bonds4

About N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine

N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 155569038) has the molecular formula C19H14ClFN4 and a molecular weight of 352.80 g/mol. Its IUPAC name is N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID155569038
Molecular FormulaC19H14ClFN4
Molecular Weight352.80 g/mol
Exact Mass352.09
IUPAC NameN-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine
SMILESFc1ccc(-c2cc3nc(NCc4ccccc4)[nH]c3cn2)cc1Cl
InChIInChI=1S/C19H14ClFN4/c20-14-8-13(6-7-15(14)21)16-9-17-18(11-22-16)25-19(24-17)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,23,24,25)
InChIKeyORGWPACGZKKYPA-UHFFFAOYSA-N
XLogP5.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.80
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine (CID 155569038) is N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine is Fc1ccc(-c2cc3nc(NCc4ccccc4)[nH]c3cn2)cc1Cl.
What is the InChIKey of N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is ORGWPACGZKKYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4/c20-14-8-13(6-7-15(14)21)16-9-17-18(11-22-16)25-19(24-17)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,23,24,25).
What are the key properties of N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine?
N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 352.80 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-chloro-4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 155569038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).