7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide

C24H28N6O2 — CID 118338310

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide
SMILESCN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C24H28N6O2/c1-29(9-10-31)20-12-17(22-23(27-13-26-22)21(20)24(25)32)15-7-8-19-18(11-15)28-14-30(19)16-5-3-2-4-6-16/h7-8,11-14,16,31H,2-6,9-10H2,1H3,(H2,25,32)(H,26,27)
InChIKeyAZRYRERBBBLHMG-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.61
Rot. Bonds6

About 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide

7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide (PubChem CID 118338310) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide
PubChem CID118338310
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide
SMILESCN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C24H28N6O2/c1-29(9-10-31)20-12-17(22-23(27-13-26-22)21(20)24(25)32)15-7-8-19-18(11-15)28-14-30(19)16-5-3-2-4-6-16/h7-8,11-14,16,31H,2-6,9-10H2,1H3,(H2,25,32)(H,26,27)
InChIKeyAZRYRERBBBLHMG-UHFFFAOYSA-N
XLogP3.61
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide (CID 118338310) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide is CN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide?
The InChIKey is AZRYRERBBBLHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-29(9-10-31)20-12-17(22-23(27-13-26-22)21(20)24(25)32)15-7-8-19-18(11-15)28-14-30(19)16-5-3-2-4-6-16/h7-8,11-14,16,31H,2-6,9-10H2,1H3,(H2,25,32)(H,26,27).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118338310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).