1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea

C19H26N4O2 — CID 75438829

IUPAC1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea
SMILESCC1CCCC(OCc2cccc(NC(=O)NCc3ncc[nH]3)c2)C1
InChIInChI=1S/C19H26N4O2/c1-14-4-2-7-17(10-14)25-13-15-5-3-6-16(11-15)23-19(24)22-12-18-20-8-9-21-18/h3,5-6,8-9,11,14,17H,2,4,7,10,12-13H2,1H3,(H,20,21)(H2,22,23,24)
InChIKeyFSOSIRQFYGRNJP-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.83
Rot. Bonds6

About 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea

1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea (PubChem CID 75438829) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea
PubChem CID75438829
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea
SMILESCC1CCCC(OCc2cccc(NC(=O)NCc3ncc[nH]3)c2)C1
InChIInChI=1S/C19H26N4O2/c1-14-4-2-7-17(10-14)25-13-15-5-3-6-16(11-15)23-19(24)22-12-18-20-8-9-21-18/h3,5-6,8-9,11,14,17H,2,4,7,10,12-13H2,1H3,(H,20,21)(H2,22,23,24)
InChIKeyFSOSIRQFYGRNJP-UHFFFAOYSA-N
XLogP3.83
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea with MolForge

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Related Compounds

1-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 97023278
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
4-(methoxymethyl)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120626279
5-chloro-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95247950
N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 75438864
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86864516
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71935987
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967
(3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120928365
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea (CID 75438829) is 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea is CC1CCCC(OCc2cccc(NC(=O)NCc3ncc[nH]3)c2)C1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea?
The InChIKey is FSOSIRQFYGRNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-4-2-7-17(10-14)25-13-15-5-3-6-16(11-15)23-19(24)22-12-18-20-8-9-21-18/h3,5-6,8-9,11,14,17H,2,4,7,10,12-13H2,1H3,(H,20,21)(H2,22,23,24).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea?
1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]urea is sourced from PubChem (CID 75438829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).