3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide

C29H32N4O2 — CID 126726268

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3CCN(C)CC3)cc21
InChIInChI=1S/C29H32N4O2/c1-3-33-26-20-21(27(34)30-24-16-18-32(2)19-17-24)14-15-25(26)31-28(33)29(35,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,24,35H,3,16-19H2,1-2H3,(H,30,34)
InChIKeyFGMRSEMLPBYPIK-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.16
Rot. Bonds6

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide (PubChem CID 126726268) 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-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide
PubChem CID126726268
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3CCN(C)CC3)cc21
InChIInChI=1S/C29H32N4O2/c1-3-33-26-20-21(27(34)30-24-16-18-32(2)19-17-24)14-15-25(26)31-28(33)29(35,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,24,35H,3,16-19H2,1-2H3,(H,30,34)
InChIKeyFGMRSEMLPBYPIK-UHFFFAOYSA-N
XLogP4.16
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide (CID 126726268) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3CCN(C)CC3)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide?
The InChIKey is FGMRSEMLPBYPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-3-33-26-20-21(27(34)30-24-16-18-32(2)19-17-24)14-15-25(26)31-28(33)29(35,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,24,35H,3,16-19H2,1-2H3,(H,30,34).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(1-methylpiperidin-4-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 126726268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).