1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea

C26H28N4O3 — CID 46382322

IUPAC1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCCn1c(CCc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)nc2ccccc21
InChIInChI=1S/C26H28N4O3/c1-4-30-24-8-6-5-7-23(24)29-25(30)14-11-18-9-12-19(13-10-18)27-26(31)28-20-15-21(32-2)17-22(16-20)33-3/h5-10,12-13,15-17H,4,11,14H2,1-3H3,(H2,27,28,31)
InChIKeyDFGRUOZUEZDKAO-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.50
Rot. Bonds8

About 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea

1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 46382322) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID46382322
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCCn1c(CCc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)nc2ccccc21
InChIInChI=1S/C26H28N4O3/c1-4-30-24-8-6-5-7-23(24)29-25(30)14-11-18-9-12-19(13-10-18)27-26(31)28-20-15-21(32-2)17-22(16-20)33-3/h5-10,12-13,15-17H,4,11,14H2,1-3H3,(H2,27,28,31)
InChIKeyDFGRUOZUEZDKAO-UHFFFAOYSA-N
XLogP5.50
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea with MolForge

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Related Compounds

Metodesnitazene
CID 26412
Carm1-IN-3
CID 44622850
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
2,4-Disubstituted Pyrimidine 2h
CID 5329421
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
N-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 57568544
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
(1-Ethyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 1087008
(2,4-Dimethoxy-benzyl)-(1-methyl-1H-benzoimidazol-2-yl)-amine
CID 932019
7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-
CID 104185

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 46382322) is 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea is CCn1c(CCc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)nc2ccccc21.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is DFGRUOZUEZDKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-4-30-24-8-6-5-7-23(24)29-25(30)14-11-18-9-12-19(13-10-18)27-26(31)28-20-15-21(32-2)17-22(16-20)33-3/h5-10,12-13,15-17H,4,11,14H2,1-3H3,(H2,27,28,31).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 444.54 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 46382322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).