2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C21H27N3O2 — CID 42924349

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CC2CC3CCC2C3)c2nccn2C)cc1
InChIInChI=1S/C21H27N3O2/c1-24-10-9-22-21(24)20(15-5-7-18(26-2)8-6-15)23-19(25)13-17-12-14-3-4-16(17)11-14/h5-10,14,16-17,20H,3-4,11-13H2,1-2H3,(H,23,25)
InChIKeyDEKNCRQHIZKXML-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.46
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 42924349) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID42924349
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CC2CC3CCC2C3)c2nccn2C)cc1
InChIInChI=1S/C21H27N3O2/c1-24-10-9-22-21(24)20(15-5-7-18(26-2)8-6-15)23-19(25)13-17-12-14-3-4-16(17)11-14/h5-10,14,16-17,20H,3-4,11-13H2,1-2H3,(H,23,25)
InChIKeyDEKNCRQHIZKXML-UHFFFAOYSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 98614201
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 124818173
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 25389534
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 102564386
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 42924349) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is COc1ccc(C(NC(=O)CC2CC3CCC2C3)c2nccn2C)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is DEKNCRQHIZKXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24-10-9-22-21(24)20(15-5-7-18(26-2)8-6-15)23-19(25)13-17-12-14-3-4-16(17)11-14/h5-10,14,16-17,20H,3-4,11-13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 42924349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).