3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide

C35H34N8O2 — CID 147449083

IUPAC3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESC=Nc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1
InChIInChI=1S/C35H34N8O2/c1-36-34-41-40-32(45-34)23-13-15-25-28(20-23)43(3)33(38-25)35(16-8-17-35)39-31(44)22-12-14-24-27(19-22)42(2)30(26-11-6-7-18-37-26)29(24)21-9-4-5-10-21/h6-7,11-15,18-21H,1,4-5,8-10,16-17H2,2-3H3,(H,39,44)
InChIKeyDXSBZWWWWJIPBD-UHFFFAOYSA-N
MW598.71 g/mol
LogP6.98
Rot. Bonds7

About 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide

3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (PubChem CID 147449083) has the molecular formula C35H34N8O2 and a molecular weight of 598.71 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
PubChem CID147449083
Molecular FormulaC35H34N8O2
Molecular Weight598.71 g/mol
Exact Mass598.28
IUPAC Name3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide
SMILESC=Nc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1
InChIInChI=1S/C35H34N8O2/c1-36-34-41-40-32(45-34)23-13-15-25-28(20-23)43(3)33(38-25)35(16-8-17-35)39-31(44)22-12-14-24-27(19-22)42(2)30(26-11-6-7-18-37-26)29(24)21-9-4-5-10-21/h6-7,11-15,18-21H,1,4-5,8-10,16-17H2,2-3H3,(H,39,44)
InChIKeyDXSBZWWWWJIPBD-UHFFFAOYSA-N
XLogP6.98
TPSA116.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide with MolForge

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Related Compounds

US10894784, Example 126.02
CID 129245246
US11420958, Ex. No. 367
CID 154639988
US10894784, Example 66.01.01
CID 129245295
US10894784, Example 66.01.02
CID 129245328
US11420958, Ex. No. 144
CID 154640022
US11420958, Ex. No. 141
CID 154640028
US11420958, Ex. No. 244
CID 154640079
US11787802, Example 107
CID 169489673
2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 122180102
methyl 1-[5-[3-[[2-[3-(dimethylamino)propyl]-3H-benzimidazole-5-carbonyl]amino]phenyl]-2-pyridinyl]-2-methylbenzimidazole-5-carboxylate
CID 137632770
5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 8892637
2-[2-[[2-(6-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
CID 20811991

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The IUPAC name of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide (CID 147449083) is 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is C=Nc1nnc(-c2ccc3nc(C4(NC(=O)c5ccc6c(C7CCCC7)c(-c7ccccn7)n(C)c6c5)CCC4)n(C)c3c2)o1.
What is the InChIKey of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
The InChIKey is DXSBZWWWWJIPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N8O2/c1-36-34-41-40-32(45-34)23-13-15-25-28(20-23)43(3)33(38-25)35(16-8-17-35)39-31(44)22-12-14-24-27(19-22)42(2)30(26-11-6-7-18-37-26)29(24)21-9-4-5-10-21/h6-7,11-15,18-21H,1,4-5,8-10,16-17H2,2-3H3,(H,39,44).
What are the key properties of 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide?
3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide has a molecular weight of 598.71 g/mol, XLogP of 6.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[5-(methylideneamino)-1,3,4-oxadiazol-2-yl]benzimidazol-2-yl]cyclobutyl]-2-pyridin-2-ylindole-6-carboxamide is sourced from PubChem (CID 147449083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).