3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide

C29H26N4O3 — CID 126726376

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cncc(OC)c3)cc21
InChIInChI=1S/C29H26N4O3/c1-3-33-26-16-20(27(34)31-23-17-24(36-2)19-30-18-23)14-15-25(26)32-28(33)29(35,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-19,35H,3H2,1-2H3,(H,31,34)
InChIKeyANZSBXBQBSMHBR-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.00
Rot. Bonds7

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide (PubChem CID 126726376) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide
PubChem CID126726376
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cncc(OC)c3)cc21
InChIInChI=1S/C29H26N4O3/c1-3-33-26-16-20(27(34)31-23-17-24(36-2)19-30-18-23)14-15-25(26)32-28(33)29(35,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-19,35H,3H2,1-2H3,(H,31,34)
InChIKeyANZSBXBQBSMHBR-UHFFFAOYSA-N
XLogP5.00
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide (CID 126726376) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cncc(OC)c3)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide?
The InChIKey is ANZSBXBQBSMHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-3-33-26-16-20(27(34)31-23-17-24(36-2)19-30-18-23)14-15-25(26)32-28(33)29(35,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-19,35H,3H2,1-2H3,(H,31,34).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-(5-methoxy-3-pyridinyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 126726376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).