1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea

C15H20N4O2 — CID 126739196

IUPAC1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-11(9-14-16-7-8-17-14)10-18-15(20)19-12-3-5-13(21-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,16,17)(H2,18,19,20)
InChIKeyBMBYWYVVRRBRLC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.42
Rot. Bonds6

About 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea

1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea (PubChem CID 126739196) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea
PubChem CID126739196
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-11(9-14-16-7-8-17-14)10-18-15(20)19-12-3-5-13(21-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,16,17)(H2,18,19,20)
InChIKeyBMBYWYVVRRBRLC-UHFFFAOYSA-N
XLogP2.42
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 61086262
1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 30739567
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95635554
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-methyl-3-(methylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565113
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-(4-methoxyphenyl)-3-[4-(2-sulfanylpropyl)phenyl]urea
CID 137474747

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea (CID 126739196) is 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCC(C)Cc2ncc[nH]2)cc1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea?
The InChIKey is BMBYWYVVRRBRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(9-14-16-7-8-17-14)10-18-15(20)19-12-3-5-13(21-2)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,16,17)(H2,18,19,20).
What are the key properties of 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea?
1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea has a molecular weight of 288.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)-2-methylpropyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 126739196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).