methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate

C29H26N4O4 — CID 10791349

IUPACmethyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N(C)C
InChIInChI=1S/C29H26N4O4/c1-18-30-23-9-5-6-10-24(23)32(18)16-19-12-14-20(15-13-19)27(34)22-17-33(29(36)31(2)3)25-11-7-8-21(26(22)25)28(35)37-4/h5-15,17H,16H2,1-4H3
InChIKeyGIZVGESTSUJUKL-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.90
Rot. Bonds5

About methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate

methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate (PubChem CID 10791349) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate
PubChem CID10791349
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Namemethyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N(C)C
InChIInChI=1S/C29H26N4O4/c1-18-30-23-9-5-6-10-24(23)32(18)16-19-12-14-20(15-13-19)27(34)22-17-33(29(36)31(2)3)25-11-7-8-21(26(22)25)28(35)37-4/h5-15,17H,16H2,1-4H3
InChIKeyGIZVGESTSUJUKL-UHFFFAOYSA-N
XLogP4.90
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate?
The IUPAC name of methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate (CID 10791349) is methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate.
What is the SMILES notation for methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate?
The canonical SMILES for methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate is COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4ccccc43)cc1)cn2C(=O)N(C)C.
What is the InChIKey of methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate?
The InChIKey is GIZVGESTSUJUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-18-30-23-9-5-6-10-24(23)32(18)16-19-12-14-20(15-13-19)27(34)22-17-33(29(36)31(2)3)25-11-7-8-21(26(22)25)28(35)37-4/h5-15,17H,16H2,1-4H3.
What are the key properties of methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate?
methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate has a molecular weight of 494.55 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dimethylcarbamoyl)-3-[4-[(2-methylbenzimidazol-1-yl)methyl]benzoyl]indole-4-carboxylate is sourced from PubChem (CID 10791349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).