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

C16H16ClN3O — CID 117159690

IUPAC3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol
SMILESOCCCc1nc2cccnc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O/c17-13-5-1-4-12(10-13)11-20-15(7-3-9-21)19-14-6-2-8-18-16(14)20/h1-2,4-6,8,10,21H,3,7,9,11H2
InChIKeyQGRXMRUXSXWXFZ-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.06
Rot. Bonds5

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

3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol (PubChem CID 117159690) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol
PubChem CID117159690
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol
SMILESOCCCc1nc2cccnc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O/c17-13-5-1-4-12(10-13)11-20-15(7-3-9-21)19-14-6-2-8-18-16(14)20/h1-2,4-6,8,10,21H,3,7,9,11H2
InChIKeyQGRXMRUXSXWXFZ-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

[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 71649911
4-[[2-(2-hydroxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117159969
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117165366
3-[3-(2-piperidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159774
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485125
2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165879
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3160745
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 10852829

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of 3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol (CID 117159690) is 3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for 3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol is OCCCc1nc2cccnc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The InChIKey is QGRXMRUXSXWXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-5-1-4-12(10-13)11-20-15(7-3-9-21)19-14-6-2-8-18-16(14)20/h1-2,4-6,8,10,21H,3,7,9,11H2.
What are the key properties of 3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
3-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-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-[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 117159690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).