7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide

C28H36N6O2 — CID 162025020

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide
SMILESCN(C)CCN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2c(c1C(N)=O)CC=N2
InChIInChI=1S/C28H36N6O2/c1-32(2)12-13-33(14-15-35)25-17-22(27-21(10-11-30-27)26(25)28(29)36)19-8-9-24-23(16-19)31-18-34(24)20-6-4-3-5-7-20/h8-9,11,16-18,20,35H,3-7,10,12-15H2,1-2H3,(H2,29,36)
InChIKeyYVGIJLPEARPEBY-UHFFFAOYSA-N
MW488.64 g/mol
LogP3.93
Rot. Bonds9

About 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide

7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide (PubChem CID 162025020) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide
PubChem CID162025020
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide
SMILESCN(C)CCN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2c(c1C(N)=O)CC=N2
InChIInChI=1S/C28H36N6O2/c1-32(2)12-13-33(14-15-35)25-17-22(27-21(10-11-30-27)26(25)28(29)36)19-8-9-24-23(16-19)31-18-34(24)20-6-4-3-5-7-20/h8-9,11,16-18,20,35H,3-7,10,12-15H2,1-2H3,(H2,29,36)
InChIKeyYVGIJLPEARPEBY-UHFFFAOYSA-N
XLogP3.93
TPSA99.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide (CID 162025020) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide is CN(C)CCN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2c(c1C(N)=O)CC=N2.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide?
The InChIKey is YVGIJLPEARPEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-32(2)12-13-33(14-15-35)25-17-22(27-21(10-11-30-27)26(25)28(29)36)19-8-9-24-23(16-19)31-18-34(24)20-6-4-3-5-7-20/h8-9,11,16-18,20,35H,3-7,10,12-15H2,1-2H3,(H2,29,36).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-indole-4-carboxamide is sourced from PubChem (CID 162025020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).