2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine

C22H21N3O — CID 21307192

IUPAC2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine
SMILESCc1nc2cnccc2n1-c1ccc(Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C22H21N3O/c1-15(2)17-5-4-6-20(13-17)26-19-9-7-18(8-10-19)25-16(3)24-21-14-23-12-11-22(21)25/h4-15H,1-3H3
InChIKeyKMMPUWXVFYGRQM-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.64
Rot. Bonds4

About 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine

2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine (PubChem CID 21307192) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine
PubChem CID21307192
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine
SMILESCc1nc2cnccc2n1-c1ccc(Oc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C22H21N3O/c1-15(2)17-5-4-6-20(13-17)26-19-9-7-18(8-10-19)25-16(3)24-21-14-23-12-11-22(21)25/h4-15H,1-3H3
InChIKeyKMMPUWXVFYGRQM-UHFFFAOYSA-N
XLogP5.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-2-methylimidazo[4,5-c]pyridine
CID 24856151
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid
CID 67869197
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
[3-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methanamine
CID 67838384
CID 91869714
CID 91869714
ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine
CID 144949974
[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate
CID 70185760
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
3-(chloromethyl)-4-(3-propan-2-ylphenoxy)pyridine
CID 81233837
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride
CID 67867992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine (CID 21307192) is 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine is Cc1nc2cnccc2n1-c1ccc(Oc2cccc(C(C)C)c2)cc1.
What is the InChIKey of 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine?
The InChIKey is KMMPUWXVFYGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15(2)17-5-4-6-20(13-17)26-19-9-7-18(8-10-19)25-16(3)24-21-14-23-12-11-22(21)25/h4-15H,1-3H3.
What are the key properties of 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine?
2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 21307192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).