5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

C19H14ClN3O — CID 90357310

IUPAC5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1
InChIInChI=1S/C19H14ClN3O/c20-17-11-10-16-19(22-17)23-18(21-16)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22,23)
InChIKeyQRSGOWRSNFBMFB-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.86
Rot. Bonds4

About 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 90357310) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID90357310
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1
InChIInChI=1S/C19H14ClN3O/c20-17-11-10-16-19(22-17)23-18(21-16)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22,23)
InChIKeyQRSGOWRSNFBMFB-UHFFFAOYSA-N
XLogP4.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90368196
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
4-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1,4-thiazinane 1-oxide
CID 90368139
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 67791490
[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium
CID 137254292
2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine
CID 59243231
2-chloro-7-phenylmethoxy-1,8-naphthyridine
CID 21073265
2-(3-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904047
5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 24904041
7-methyl-2-[4-(phenoxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 90368161
2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110534777

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 90357310) is 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is Clc1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2n1.
What is the InChIKey of 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is QRSGOWRSNFBMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-17-11-10-16-19(22-17)23-18(21-16)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22,23).
What are the key properties of 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 335.79 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90357310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).