3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one

C20H27N3O2 — CID 126787824

IUPAC3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1
InChIInChI=1S/C20H27N3O2/c1-14(2)20-21-17-13-23(12-11-18(17)22(20)3)19(24)10-7-15-5-8-16(25-4)9-6-15/h5-6,8-9,14H,7,10-13H2,1-4H3
InChIKeyWHLULTKTLHQUIH-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.07
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one

3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 126787824) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID126787824
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1
InChIInChI=1S/C20H27N3O2/c1-14(2)20-21-17-13-23(12-11-18(17)22(20)3)19(24)10-7-15-5-8-16(25-4)9-6-15/h5-6,8-9,14H,7,10-13H2,1-4H3
InChIKeyWHLULTKTLHQUIH-UHFFFAOYSA-N
XLogP3.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535781
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CID 119306765
1-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56706470
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(2-methyl-3-pyridinyl)methanone
CID 119041736
3-(4-methoxyphenyl)-1-[4-[3-(2-methylpropoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 47080708
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 115966191
3-(4-fluorophenyl)-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110726101
3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 51126431
4-(4-methoxyphenyl)-1-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 164698300

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 126787824) is 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one is COc1ccc(CCC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is WHLULTKTLHQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)20-21-17-13-23(12-11-18(17)22(20)3)19(24)10-7-15-5-8-16(25-4)9-6-15/h5-6,8-9,14H,7,10-13H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 126787824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).