(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C18H23N3O2 — CID 131663093

IUPAC(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOCC1CN(C(=O)c2cc(C)cc(C)c2)Cc2ncn(C)c21
InChIInChI=1S/C18H23N3O2/c1-12-5-13(2)7-14(6-12)18(22)21-8-15(10-23-4)17-16(9-21)19-11-20(17)3/h5-7,11,15H,8-10H2,1-4H3
InChIKeyCYIZXCVTRGHHIG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.42
Rot. Bonds3

About (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone

(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 131663093) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID131663093
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOCC1CN(C(=O)c2cc(C)cc(C)c2)Cc2ncn(C)c21
InChIInChI=1S/C18H23N3O2/c1-12-5-13(2)7-14(6-12)18(22)21-8-15(10-23-4)17-16(9-21)19-11-20(17)3/h5-7,11,15H,8-10H2,1-4H3
InChIKeyCYIZXCVTRGHHIG-UHFFFAOYSA-N
XLogP2.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-(4-methylphenoxy)ethanone
CID 131659956
[(1S)-cyclohex-3-en-1-yl]-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 97368276
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368383
[7-(cyclopentylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155859354
[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 131649972
(7S)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382899
(7S)-7-(methoxymethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382827
[(7S)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone
CID 97368537
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 131657777
[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 97382674
1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 97382934
furan-2-yl-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 97383259

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 131663093) is (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is COCC1CN(C(=O)c2cc(C)cc(C)c2)Cc2ncn(C)c21.
What is the InChIKey of (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is CYIZXCVTRGHHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-5-13(2)7-14(6-12)18(22)21-8-15(10-23-4)17-16(9-21)19-11-20(17)3/h5-7,11,15H,8-10H2,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
(3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131663093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).