3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

C30H34N4O2 — CID 126726365

IUPAC3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCN1CCC[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)C1
InChIInChI=1S/C30H34N4O2/c1-3-33-19-11-16-25(21-33)31-28(35)22-17-18-26-27(20-22)34(4-2)29(32-26)30(36,23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,17-18,20,25,36H,3-4,11,16,19,21H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyQSINCKMUFCVCGS-RUZDIDTESA-N
MW482.63 g/mol
LogP4.55
Rot. Bonds7

About 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 126726365) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID126726365
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCN1CCC[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)C1
InChIInChI=1S/C30H34N4O2/c1-3-33-19-11-16-25(21-33)31-28(35)22-17-18-26-27(20-22)34(4-2)29(32-26)30(36,23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,17-18,20,25,36H,3-4,11,16,19,21H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyQSINCKMUFCVCGS-RUZDIDTESA-N
XLogP4.55
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 126726365) is 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCN1CCC[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)C1.
What is the InChIKey of 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is QSINCKMUFCVCGS-RUZDIDTESA-N. The full InChI is InChI=1S/C30H34N4O2/c1-3-33-19-11-16-25(21-33)31-28(35)22-17-18-26-27(20-22)34(4-2)29(32-26)30(36,23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-10,12-15,17-18,20,25,36H,3-4,11,16,19,21H2,1-2H3,(H,31,35)/t25-/m1/s1.
What are the key properties of 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3R)-1-ethylpiperidin-3-yl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 126726365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).