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

C25H30N6O2 — CID 118350321

IUPAC7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCOc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C25H30N6O2/c1-30(2)10-11-33-21-13-18(23-24(28-14-27-23)22(21)25(26)32)16-8-9-20-19(12-16)29-15-31(20)17-6-4-3-5-7-17/h8-9,12-15,17H,3-7,10-11H2,1-2H3,(H2,26,32)(H,27,28)
InChIKeyNSPNWBPZQIWCTP-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.12
Rot. Bonds7

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

7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide (PubChem CID 118350321) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide
PubChem CID118350321
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCOc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C25H30N6O2/c1-30(2)10-11-33-21-13-18(23-24(28-14-27-23)22(21)25(26)32)16-8-9-20-19(12-16)29-15-31(20)17-6-4-3-5-7-17/h8-9,12-15,17H,3-7,10-11H2,1-2H3,(H2,26,32)(H,27,28)
InChIKeyNSPNWBPZQIWCTP-UHFFFAOYSA-N
XLogP4.12
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide (CID 118350321) is 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide is CN(C)CCOc1cc(-c2ccc3c(c2)ncn3C2CCCCC2)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide?
The InChIKey is NSPNWBPZQIWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-30(2)10-11-33-21-13-18(23-24(28-14-27-23)22(21)25(26)32)16-8-9-20-19(12-16)29-15-31(20)17-6-4-3-5-7-17/h8-9,12-15,17H,3-7,10-11H2,1-2H3,(H2,26,32)(H,27,28).
What are the key properties of 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide?
7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclohexylbenzimidazol-5-yl)-5-[2-(dimethylamino)ethoxy]-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118350321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).