3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide

C29H25N3O2 — CID 126726303

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccccc3)cc21
InChIInChI=1S/C29H25N3O2/c1-2-32-26-20-21(27(33)30-24-16-10-5-11-17-24)18-19-25(26)31-28(32)29(34,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-20,34H,2H2,1H3,(H,30,33)
InChIKeyBQHFWUGAEVRTMW-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.59
Rot. Bonds6

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide (PubChem CID 126726303) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide
PubChem CID126726303
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccccc3)cc21
InChIInChI=1S/C29H25N3O2/c1-2-32-26-20-21(27(33)30-24-16-10-5-11-17-24)18-19-25(26)31-28(32)29(34,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-20,34H,2H2,1H3,(H,30,33)
InChIKeyBQHFWUGAEVRTMW-UHFFFAOYSA-N
XLogP5.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide (CID 126726303) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3ccccc3)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide?
The InChIKey is BQHFWUGAEVRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-2-32-26-20-21(27(33)30-24-16-10-5-11-17-24)18-19-25(26)31-28(32)29(34,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-20,34H,2H2,1H3,(H,30,33).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 126726303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).