2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine

C20H23N3O — CID 141082466

IUPAC2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine
SMILESCc1cc2c(cn1)nc(CC1CC1)n2CCOCc1ccccc1
InChIInChI=1S/C20H23N3O/c1-15-11-19-18(13-21-15)22-20(12-16-7-8-16)23(19)9-10-24-14-17-5-3-2-4-6-17/h2-6,11,13,16H,7-10,12,14H2,1H3
InChIKeyIOXTXXWJSLBJQD-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.91
Rot. Bonds7

About 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine

2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine (PubChem CID 141082466) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine
PubChem CID141082466
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine
SMILESCc1cc2c(cn1)nc(CC1CC1)n2CCOCc1ccccc1
InChIInChI=1S/C20H23N3O/c1-15-11-19-18(13-21-15)22-20(12-16-7-8-16)23(19)9-10-24-14-17-5-3-2-4-6-17/h2-6,11,13,16H,7-10,12,14H2,1H3
InChIKeyIOXTXXWJSLBJQD-UHFFFAOYSA-N
XLogP3.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
4-[2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butan-1-amine
CID 141155477
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62335822
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole
CID 126582711
5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
CID 71865584
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
2-methyl-5-phenylmethoxypyrazine
CID 129054090
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine (CID 141082466) is 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine is Cc1cc2c(cn1)nc(CC1CC1)n2CCOCc1ccccc1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine?
The InChIKey is IOXTXXWJSLBJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-11-19-18(13-21-15)22-20(12-16-7-8-16)23(19)9-10-24-14-17-5-3-2-4-6-17/h2-6,11,13,16H,7-10,12,14H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine?
2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine has a molecular weight of 321.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-methyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).