methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate

C25H20N4O4 — CID 67687248

IUPACmethyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate
SMILESCOC(=O)COc1ccc2nc(-c3ccc(C(=O)Nc4ccc5cc[nH]c5c4)cc3)[nH]c2c1
InChIInChI=1S/C25H20N4O4/c1-32-23(30)14-33-19-8-9-20-22(13-19)29-24(28-20)16-2-4-17(5-3-16)25(31)27-18-7-6-15-10-11-26-21(15)12-18/h2-13,26H,14H2,1H3,(H,27,31)(H,28,29)
InChIKeyFWVGOSAZRBUAGI-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.52
Rot. Bonds6

About methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate

methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate (PubChem CID 67687248) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate
PubChem CID67687248
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC Namemethyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate
SMILESCOC(=O)COc1ccc2nc(-c3ccc(C(=O)Nc4ccc5cc[nH]c5c4)cc3)[nH]c2c1
InChIInChI=1S/C25H20N4O4/c1-32-23(30)14-33-19-8-9-20-22(13-19)29-24(28-20)16-2-4-17(5-3-16)25(31)27-18-7-6-15-10-11-26-21(15)12-18/h2-13,26H,14H2,1H3,(H,27,31)(H,28,29)
InChIKeyFWVGOSAZRBUAGI-UHFFFAOYSA-N
XLogP4.52
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
CID 67686907
4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide
CID 67687298
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349
N-(2,3-dihydro-1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
CID 71040921
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate?
The IUPAC name of methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate (CID 67687248) is methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate is COC(=O)COc1ccc2nc(-c3ccc(C(=O)Nc4ccc5cc[nH]c5c4)cc3)[nH]c2c1.
What is the InChIKey of methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate?
The InChIKey is FWVGOSAZRBUAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-32-23(30)14-33-19-8-9-20-22(13-19)29-24(28-20)16-2-4-17(5-3-16)25(31)27-18-7-6-15-10-11-26-21(15)12-18/h2-13,26H,14H2,1H3,(H,27,31)(H,28,29).
What are the key properties of methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate?
methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate has a molecular weight of 440.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate is sourced from PubChem (CID 67687248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).