N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide

C17H21N3O2 — CID 46528505

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
SMILESCOc1ccc(C(NC(=O)C2CCC2)c2nccn2C)cc1
InChIInChI=1S/C17H21N3O2/c1-20-11-10-18-16(20)15(19-17(21)13-4-3-5-13)12-6-8-14(22-2)9-7-12/h6-11,13,15H,3-5H2,1-2H3,(H,19,21)
InChIKeyLFNCZRSSUIWPLK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.43
Rot. Bonds5

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide (PubChem CID 46528505) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
PubChem CID46528505
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
SMILESCOc1ccc(C(NC(=O)C2CCC2)c2nccn2C)cc1
InChIInChI=1S/C17H21N3O2/c1-20-11-10-18-16(20)15(19-17(21)13-4-3-5-13)12-6-8-14(22-2)9-7-12/h6-11,13,15H,3-5H2,1-2H3,(H,19,21)
InChIKeyLFNCZRSSUIWPLK-UHFFFAOYSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 39508060
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513
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
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 30591150
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide (CID 46528505) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide is COc1ccc(C(NC(=O)C2CCC2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide?
The InChIKey is LFNCZRSSUIWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-11-10-18-16(20)15(19-17(21)13-4-3-5-13)12-6-8-14(22-2)9-7-12/h6-11,13,15H,3-5H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 46528505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).