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

C21H30N4O2 — CID 55597981

IUPAC1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccccc1C(NC(=O)NC1CCCCCCC1)c1nccn1C
InChIInChI=1S/C21H30N4O2/c1-25-15-14-22-20(25)19(17-12-8-9-13-18(17)27-2)24-21(26)23-16-10-6-4-3-5-7-11-16/h8-9,12-16,19H,3-7,10-11H2,1-2H3,(H2,23,24,26)
InChIKeyNLHJOWFNLXMUTC-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.93
Rot. Bonds5

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

1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 55597981) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
PubChem CID55597981
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccccc1C(NC(=O)NC1CCCCCCC1)c1nccn1C
InChIInChI=1S/C21H30N4O2/c1-25-15-14-22-20(25)19(17-12-8-9-13-18(17)27-2)24-21(26)23-16-10-6-4-3-5-7-11-16/h8-9,12-16,19H,3-7,10-11H2,1-2H3,(H2,23,24,26)
InChIKeyNLHJOWFNLXMUTC-UHFFFAOYSA-N
XLogP3.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 94635187
2-cyclohexylidene-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 71886966
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94030272
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
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
1-benzyl-1-cyclopropyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55793501

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea (CID 55597981) is 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is COc1ccccc1C(NC(=O)NC1CCCCCCC1)c1nccn1C.
What is the InChIKey of 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is NLHJOWFNLXMUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-25-15-14-22-20(25)19(17-12-8-9-13-18(17)27-2)24-21(26)23-16-10-6-4-3-5-7-11-16/h8-9,12-16,19H,3-7,10-11H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea?
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 370.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 55597981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).