3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide

C29H32N4O2 — CID 126726294

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC3CCNCC3)cc21
InChIInChI=1S/C29H32N4O2/c1-2-33-26-19-22(27(34)31-20-21-15-17-30-18-16-21)13-14-25(26)32-28(33)29(35,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,21,30,35H,2,15-18,20H2,1H3,(H,31,34)
InChIKeyDUZCHSOGRDGKHV-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.07
Rot. Bonds7

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 126726294) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide
PubChem CID126726294
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC3CCNCC3)cc21
InChIInChI=1S/C29H32N4O2/c1-2-33-26-19-22(27(34)31-20-21-15-17-30-18-16-21)13-14-25(26)32-28(33)29(35,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,21,30,35H,2,15-18,20H2,1H3,(H,31,34)
InChIKeyDUZCHSOGRDGKHV-UHFFFAOYSA-N
XLogP4.07
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide (CID 126726294) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCC3CCNCC3)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is DUZCHSOGRDGKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-2-33-26-19-22(27(34)31-20-21-15-17-30-18-16-21)13-14-25(26)32-28(33)29(35,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,21,30,35H,2,15-18,20H2,1H3,(H,31,34).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 126726294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).