1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea

C32H30N8O5 — CID 142774094

IUPAC1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
SMILESCOc1ccccc1CNC(=O)Nc1nc2ccc(Oc3ccc4nc(NC(=O)NCc5ccccc5OC)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C32H30N8O5/c1-43-27-9-5-3-7-19(27)17-33-31(41)39-29-35-23-13-11-21(15-25(23)37-29)45-22-12-14-24-26(16-22)38-30(36-24)40-32(42)34-18-20-8-4-6-10-28(20)44-2/h3-16H,17-18H2,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
InChIKeyLPMFSBXLJLLTHP-UHFFFAOYSA-N
MW606.64 g/mol
LogP5.89
Rot. Bonds10

About 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea

1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea (PubChem CID 142774094) has the molecular formula C32H30N8O5 and a molecular weight of 606.64 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
PubChem CID142774094
Molecular FormulaC32H30N8O5
Molecular Weight606.64 g/mol
Exact Mass606.23
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
SMILESCOc1ccccc1CNC(=O)Nc1nc2ccc(Oc3ccc4nc(NC(=O)NCc5ccccc5OC)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C32H30N8O5/c1-43-27-9-5-3-7-19(27)17-33-31(41)39-29-35-23-13-11-21(15-25(23)37-29)45-22-12-14-24-26(16-22)38-30(36-24)40-32(42)34-18-20-8-4-6-10-28(20)44-2/h3-16H,17-18H2,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
InChIKeyLPMFSBXLJLLTHP-UHFFFAOYSA-N
XLogP5.89
TPSA167.31 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.64
LogP ≤ 55.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea with MolForge

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Related Compounds

1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774089
methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate
CID 169450802
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46620892
1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 71655403
1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
CID 118709938
[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 2-methoxybenzenesulfonate
CID 88844156
[2-(benzylcarbamoylamino)-3H-benzimidazol-5-yl] 2,6-dichlorobenzenesulfonate
CID 87123396
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 11155078
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea (CID 142774094) is 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea is COc1ccccc1CNC(=O)Nc1nc2ccc(Oc3ccc4nc(NC(=O)NCc5ccccc5OC)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
The InChIKey is LPMFSBXLJLLTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O5/c1-43-27-9-5-3-7-19(27)17-33-31(41)39-29-35-23-13-11-21(15-25(23)37-29)45-22-12-14-24-26(16-22)38-30(36-24)40-32(42)34-18-20-8-4-6-10-28(20)44-2/h3-16H,17-18H2,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea?
1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea has a molecular weight of 606.64 g/mol, XLogP of 5.89, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 142774094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).