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

C27H35N7O2 — CID 118338179

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C27H35N7O2/c1-32(2)10-11-33(12-13-35)23-15-20(25-26(30-16-29-25)24(23)27(28)36)18-8-9-22-21(14-18)31-17-34(22)19-6-4-3-5-7-19/h8-9,14-17,19,35H,3-7,10-13H2,1-2H3,(H2,28,36)(H,29,30)
InChIKeyZASNKEMNWKPSKH-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.54
Rot. Bonds9

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

7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide (PubChem CID 118338179) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide
PubChem CID118338179
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C27H35N7O2/c1-32(2)10-11-33(12-13-35)23-15-20(25-26(30-16-29-25)24(23)27(28)36)18-8-9-22-21(14-18)31-17-34(22)19-6-4-3-5-7-19/h8-9,14-17,19,35H,3-7,10-13H2,1-2H3,(H2,28,36)(H,29,30)
InChIKeyZASNKEMNWKPSKH-UHFFFAOYSA-N
XLogP3.54
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.54
H-Bond Donors ≤ 53
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-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide (CID 118338179) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide is CN(C)CCN(CCO)c1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide?
The InChIKey is ZASNKEMNWKPSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-32(2)10-11-33(12-13-35)23-15-20(25-26(30-16-29-25)24(23)27(28)36)18-8-9-22-21(14-18)31-17-34(22)19-6-4-3-5-7-19/h8-9,14-17,19,35H,3-7,10-13H2,1-2H3,(H2,28,36)(H,29,30).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]-3H-benzimidazole-4-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 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-benzimidazole-4-carboxamide is sourced from PubChem (CID 118338179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).