1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea

C26H28N4O2 — CID 121471284

IUPAC1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCOc1ccc(CC(NC(=O)NCCc2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H28N4O2/c1-18-7-9-19(10-8-18)15-16-27-26(31)30-24(17-20-11-13-21(32-2)14-12-20)25-28-22-5-3-4-6-23(22)29-25/h3-14,24H,15-17H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyLPMKBSGBQIQVRQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.71
Rot. Bonds8

About 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea

1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 121471284) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID121471284
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCOc1ccc(CC(NC(=O)NCCc2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H28N4O2/c1-18-7-9-19(10-8-18)15-16-27-26(31)30-24(17-20-11-13-21(32-2)14-12-20)25-28-22-5-3-4-6-23(22)29-25/h3-14,24H,15-17H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyLPMKBSGBQIQVRQ-UHFFFAOYSA-N
XLogP4.71
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471282
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-cyclopent-3-en-1-ylurea
CID 121471566
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-3-ylurea
CID 121471144
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(2,3-dichlorophenyl)methyl]urea
CID 121471062
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(1-phenylcyclohexyl)methyl]urea
CID 121471267
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(2,5-dichlorophenyl)methyl]urea
CID 121471368
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-fluoropyrrolidin-3-yl]urea
CID 121471121
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(1-phenylpyrazol-3-yl)methyl]urea
CID 121471637
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
CID 121471261
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 121471679
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 121471681

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 121471284) is 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea is COc1ccc(CC(NC(=O)NCCc2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is LPMKBSGBQIQVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18-7-9-19(10-8-18)15-16-27-26(31)30-24(17-20-11-13-21(32-2)14-12-20)25-28-22-5-3-4-6-23(22)29-25/h3-14,24H,15-17H2,1-2H3,(H,28,29)(H2,27,30,31).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 428.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 121471284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).