1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea

C30H26N8O5 — CID 142774083

IUPAC1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2nc3cc(Oc4ccc5[nH]c(NC(=O)Nc6ccc(OC)cc6)nc5c4)ccc3[nH]2)cc1
InChIInChI=1S/C30H26N8O5/c1-41-19-7-3-17(4-8-19)31-29(39)37-27-33-23-13-11-21(15-25(23)35-27)43-22-12-14-24-26(16-22)36-28(34-24)38-30(40)32-18-5-9-20(42-2)10-6-18/h3-16H,1-2H3,(H3,31,33,35,37,39)(H3,32,34,36,38,40)
InChIKeyFGRCGNLRNKGDJJ-UHFFFAOYSA-N
MW578.59 g/mol
LogP6.54
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea

1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea (PubChem CID 142774083) has the molecular formula C30H26N8O5 and a molecular weight of 578.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
PubChem CID142774083
Molecular FormulaC30H26N8O5
Molecular Weight578.59 g/mol
Exact Mass578.20
IUPAC Name1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2nc3cc(Oc4ccc5[nH]c(NC(=O)Nc6ccc(OC)cc6)nc5c4)ccc3[nH]2)cc1
InChIInChI=1S/C30H26N8O5/c1-41-19-7-3-17(4-8-19)31-29(39)37-27-33-23-13-11-21(15-25(23)35-27)43-22-12-14-24-26(16-22)36-28(34-24)38-30(40)32-18-5-9-20(42-2)10-6-18/h3-16H,1-2H3,(H3,31,33,35,37,39)(H3,32,34,36,38,40)
InChIKeyFGRCGNLRNKGDJJ-UHFFFAOYSA-N
XLogP6.54
TPSA167.31 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500578.59
LogP ≤ 56.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774089
1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774094
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3H-benzimidazol-5-yl]oxy]phenyl]urea
CID 58905753
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide
CID 58905754
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea
CID 107653951
1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
CID 118709938

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea (CID 142774083) is 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea is COc1ccc(NC(=O)Nc2nc3cc(Oc4ccc5[nH]c(NC(=O)Nc6ccc(OC)cc6)nc5c4)ccc3[nH]2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The InChIKey is FGRCGNLRNKGDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8O5/c1-41-19-7-3-17(4-8-19)31-29(39)37-27-33-23-13-11-21(15-25(23)35-27)43-22-12-14-24-26(16-22)36-28(34-24)38-30(40)32-18-5-9-20(42-2)10-6-18/h3-16H,1-2H3,(H3,31,33,35,37,39)(H3,32,34,36,38,40).
What are the key properties of 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea has a molecular weight of 578.59 g/mol, XLogP of 6.54, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[5-[[2-[(4-methoxyphenyl)carbamoylamino]-1H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 142774083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).