4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine

C18H15ClN4O — CID 58110571

IUPAC4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-n2ccc3c(Cl)ccnc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C18H15ClN4O/c1-12-10-22(11-21-12)16-4-3-13(9-17(16)24-2)23-8-6-14-15(19)5-7-20-18(14)23/h3-11H,1-2H3
InChIKeyBEJAWIYXODVIBS-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine

4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 58110571) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID58110571
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-n2ccc3c(Cl)ccnc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C18H15ClN4O/c1-12-10-22(11-21-12)16-4-3-13(9-17(16)24-2)23-8-6-14-15(19)5-7-20-18(14)23/h3-11H,1-2H3
InChIKeyBEJAWIYXODVIBS-UHFFFAOYSA-N
XLogP4.18
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 144841192
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trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
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3-methoxy-4-(4-methylimidazol-1-yl)aniline;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 161433764
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
N-(2,3-dichlorophenyl)-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine
CID 67608853
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[(4-pyrrol-1-ylphenyl)methyl]triazole
CID 59472774
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
3-[(4-chlorophenyl)methyl]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 160616712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine (CID 58110571) is 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine is COc1cc(-n2ccc3c(Cl)ccnc32)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is BEJAWIYXODVIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-12-10-22(11-21-12)16-4-3-13(9-17(16)24-2)23-8-6-14-15(19)5-7-20-18(14)23/h3-11H,1-2H3.
What are the key properties of 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 338.80 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58110571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).