1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

C23H26N4O2 — CID 55793501

IUPAC1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccccc1C(NC(=O)N(Cc1ccccc1)C1CC1)c1nccn1C
InChIInChI=1S/C23H26N4O2/c1-26-15-14-24-22(26)21(19-10-6-7-11-20(19)29-2)25-23(28)27(18-12-13-18)16-17-8-4-3-5-9-17/h3-11,14-15,18,21H,12-13,16H2,1-2H3,(H,25,28)
InChIKeyNWMDIZDTMQELOZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.89
Rot. Bonds7

About 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 55793501) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
PubChem CID55793501
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccccc1C(NC(=O)N(Cc1ccccc1)C1CC1)c1nccn1C
InChIInChI=1S/C23H26N4O2/c1-26-15-14-24-22(26)21(19-10-6-7-11-20(19)29-2)25-23(28)27(18-12-13-18)16-17-8-4-3-5-9-17/h3-11,14-15,18,21H,12-13,16H2,1-2H3,(H,25,28)
InChIKeyNWMDIZDTMQELOZ-UHFFFAOYSA-N
XLogP3.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94030272
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)urea
CID 86960417
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-phenylethoxy)butanamide
CID 55824006
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 42923292
N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
2-(3-fluorophenyl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25389585

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (CID 55793501) is 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is COc1ccccc1C(NC(=O)N(Cc1ccccc1)C1CC1)c1nccn1C.
What is the InChIKey of 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is NWMDIZDTMQELOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26-15-14-24-22(26)21(19-10-6-7-11-20(19)29-2)25-23(28)27(18-12-13-18)16-17-8-4-3-5-9-17/h3-11,14-15,18,21H,12-13,16H2,1-2H3,(H,25,28).
What are the key properties of 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 390.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 55793501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).