2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol

C19H22ClN3O — CID 67099673

IUPAC2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol
SMILESCCc1nc2c(C)cc(C)nc2n1-c1ccc(C(C)(C)O)c(Cl)c1
InChIInChI=1S/C19H22ClN3O/c1-6-16-22-17-11(2)9-12(3)21-18(17)23(16)13-7-8-14(15(20)10-13)19(4,5)24/h7-10,24H,6H2,1-5H3
InChIKeyNKFNCVPLEZJQGX-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.48
Rot. Bonds3

About 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol

2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol (PubChem CID 67099673) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol
PubChem CID67099673
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol
SMILESCCc1nc2c(C)cc(C)nc2n1-c1ccc(C(C)(C)O)c(Cl)c1
InChIInChI=1S/C19H22ClN3O/c1-6-16-22-17-11(2)9-12(3)21-18(17)23(16)13-7-8-14(15(20)10-13)19(4,5)24/h7-10,24H,6H2,1-5H3
InChIKeyNKFNCVPLEZJQGX-UHFFFAOYSA-N
XLogP4.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol with MolForge

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Related Compounds

2-(3-(2-(4-Chlorophenyl)imidazo(1,2-a)-pyridin-6-yl)phenyl)propan-2-ol
CID 24759785
1-[4-Chloro-3-(7-methyl-12-propan-2-yl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]cyclobutan-1-ol
CID 89968371
1-[4-Chloro-3-(12-cyclopropyl-7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]cyclobutan-1-ol
CID 89968372
Benzenemethanol, 4-(4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl)-2-chloro-
CID 9863540
1-[3-Chloro-4-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)phenyl]ethanol
CID 44458818
2-[3-Chloro-4-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)phenyl]propan-2-ol
CID 44459033
2-[4-Chloro-3-(7,12-dimethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol
CID 89968347
2-[4-Chloro-3-(7-methyl-12-propan-2-yl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol
CID 89968357
2-[4-Chloro-3-(12-cyclopropyl-7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]propan-2-ol
CID 89968366
1-[4-Chloro-3-(7,12-dimethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]cyclobutan-1-ol
CID 89968368
2-[4-Chloro-3-[7-methyl-12-(trifluoromethyl)-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl]phenyl]propan-2-ol
CID 89968386
(6-Chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol
CID 126726250

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol (CID 67099673) is 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol is CCc1nc2c(C)cc(C)nc2n1-c1ccc(C(C)(C)O)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol?
The InChIKey is NKFNCVPLEZJQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-6-16-22-17-11(2)9-12(3)21-18(17)23(16)13-7-8-14(15(20)10-13)19(4,5)24/h7-10,24H,6H2,1-5H3.
What are the key properties of 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol?
2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol has a molecular weight of 343.86 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-ol is sourced from PubChem (CID 67099673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).