3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol

C16H16ClN3O — CID 117165366

IUPAC3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
SMILESOCCCn1c(Cc2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C16H16ClN3O/c17-13-6-4-12(5-7-13)11-15-19-14-3-1-8-18-16(14)20(15)9-2-10-21/h1,3-8,21H,2,9-11H2
InChIKeyKVEWZVOHVLOGIJ-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.06
Rot. Bonds5

About 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol

3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol (PubChem CID 117165366) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
PubChem CID117165366
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
SMILESOCCCn1c(Cc2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C16H16ClN3O/c17-13-6-4-12(5-7-13)11-15-19-14-3-1-8-18-16(14)20(15)9-2-10-21/h1,3-8,21H,2,9-11H2
InChIKeyKVEWZVOHVLOGIJ-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366
2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide
CID 70410455
4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165381
2-(4-chlorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;4-(2-hydroxyethyl)-2-phenylpyrido[2,3-b]pyrazin-3-one
CID 157166412
3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159690
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161041
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
4-[[2-(2-hydroxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117159969
2-(2-benzyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150820
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
3-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117163152

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The IUPAC name of 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol (CID 117165366) is 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol is OCCCn1c(Cc2ccc(Cl)cc2)nc2cccnc21.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
The InChIKey is KVEWZVOHVLOGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-6-4-12(5-7-13)11-15-19-14-3-1-8-18-16(14)20(15)9-2-10-21/h1,3-8,21H,2,9-11H2.
What are the key properties of 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol?
3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol has a molecular weight of 301.78 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 117165366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).