methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate

C24H27N3O3 — CID 59497612

IUPACmethyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate
SMILESCCCC(CC(=O)OC)n1c(=O)n(Cc2cc(C)cc3[nH]ccc23)c2ccccc21
InChIInChI=1S/C24H27N3O3/c1-4-7-18(14-23(28)30-3)27-22-9-6-5-8-21(22)26(24(27)29)15-17-12-16(2)13-20-19(17)10-11-25-20/h5-6,8-13,18,25H,4,7,14-15H2,1-3H3
InChIKeyWWWOFYDLTLECRE-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.55
Rot. Bonds7

About methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate

methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate (PubChem CID 59497612) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate.

Molecular Properties

Compound Namemethyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate
PubChem CID59497612
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Namemethyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate
SMILESCCCC(CC(=O)OC)n1c(=O)n(Cc2cc(C)cc3[nH]ccc23)c2ccccc21
InChIInChI=1S/C24H27N3O3/c1-4-7-18(14-23(28)30-3)27-22-9-6-5-8-21(22)26(24(27)29)15-17-12-16(2)13-20-19(17)10-11-25-20/h5-6,8-13,18,25H,4,7,14-15H2,1-3H3
InChIKeyWWWOFYDLTLECRE-UHFFFAOYSA-N
XLogP4.55
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate with MolForge

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Related Compounds

3-[3-[(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;methane;methyl 3-[3-[(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate
CID 157425636
3-[3-[(2,5-dimethyl-3-propan-2-yloxyphenyl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 59497317
ethyl (3S)-3-[3-[(5-bromo-2-oxo-3H-1,3-benzothiazol-7-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate
CID 59497273
3-[3-[(3,5-dibromophenyl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 59497531
3-[3-[(6-chloro-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 70275395
1-[(1,4-dimethylindol-3-yl)methyl]-3-heptan-4-ylbenzimidazol-2-one
CID 123225968
3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]octanoic acid
CID 25126550
tert-butyl 4-chloro-3-[[3-(1-ethoxy-1-oxohexan-3-yl)-2-oxobenzimidazol-1-yl]methyl]indole-1-carboxylate;tert-butyl 4-chloro-3-(hydroxymethyl)indole-1-carboxylate;3-[3-[(4-chloro-1H-indol-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;3-[3-[[4-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-oxobenzimidazol-1-yl]hexanoic acid;ethyl 3-(2-oxo-3H-benzimidazol-1-yl)hexanoate;methane
CID 158192953
3-(2-oxo-3H-benzimidazol-1-yl)hexanoic acid
CID 70277464
3-[3-[(4-methyl-2,3-dihydro-1H-indol-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 70278791
methyl (3S)-3-[1-[(4,6-dimethyl-1,2-benzothiazol-3-yl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]pentanoate
CID 67503561
3-[3-[(4-methyl-2,3-dihydro-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 70279067

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate?
The IUPAC name of methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate (CID 59497612) is methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate.
What is the SMILES notation for methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate?
The canonical SMILES for methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate is CCCC(CC(=O)OC)n1c(=O)n(Cc2cc(C)cc3[nH]ccc23)c2ccccc21.
What is the InChIKey of methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate?
The InChIKey is WWWOFYDLTLECRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-7-18(14-23(28)30-3)27-22-9-6-5-8-21(22)26(24(27)29)15-17-12-16(2)13-20-19(17)10-11-25-20/h5-6,8-13,18,25H,4,7,14-15H2,1-3H3.
What are the key properties of methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate?
methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate has a molecular weight of 405.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(6-methyl-1H-indol-4-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoate is sourced from PubChem (CID 59497612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).