methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C22H27N3O3 — CID 74443179

IUPACmethyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2ncn(Cc3ccccc3)c2CN1C(=O)C1CCCCC1
InChIInChI=1S/C22H27N3O3/c1-28-22(27)19-12-18-20(14-25(19)21(26)17-10-6-3-7-11-17)24(15-23-18)13-16-8-4-2-5-9-16/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3
InChIKeyQMNZEQAZGIPTSH-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.94
Rot. Bonds4

About methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 74443179) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID74443179
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Namemethyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2ncn(Cc3ccccc3)c2CN1C(=O)C1CCCCC1
InChIInChI=1S/C22H27N3O3/c1-28-22(27)19-12-18-20(14-25(19)21(26)17-10-6-3-7-11-17)24(15-23-18)13-16-8-4-2-5-9-16/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3
InChIKeyQMNZEQAZGIPTSH-UHFFFAOYSA-N
XLogP2.94
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl (6S)-5-acetyl-3-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 14457639
methyl 3-benzyl-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443176
methyl (6R)-5-benzoyl-3-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162959512
methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 25317673
methyl 3-benzyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443171
methyl (6S)-3-[(4-chlorophenyl)methyl]-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745487
methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745461
methyl 3-[(4-chlorophenyl)methyl]-5-(furan-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74507982
methyl (6R)-5-(benzenesulfonyl)-3-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 163096296
methyl (6R)-3-[(4-chlorophenyl)methyl]-5-(4-fluorobenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162821329
methyl (6R)-5-benzylsulfonyl-3-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162885362
3-[[3-[(4-tert-butylphenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carbonyl]amino]propanoic acid
CID 23768527

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 74443179) is methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)C1Cc2ncn(Cc3ccccc3)c2CN1C(=O)C1CCCCC1.
What is the InChIKey of methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is QMNZEQAZGIPTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-22(27)19-12-18-20(14-25(19)21(26)17-10-6-3-7-11-17)24(15-23-18)13-16-8-4-2-5-9-16/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3.
What are the key properties of methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 74443179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).