3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide

C27H28N4O2 — CID 175083159

IUPAC3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1)C1CNCCO1
InChIInChI=1S/C27H28N4O2/c1-19(25-17-28-14-15-33-25)29-27(32)22-12-13-23-24(16-22)31(18-20-8-4-2-5-9-20)26(30-23)21-10-6-3-7-11-21/h2-13,16,19,25,28H,14-15,17-18H2,1H3,(H,29,32)
InChIKeyAHJCYWZEVAUYIW-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.86
Rot. Bonds6

About 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide

3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide (PubChem CID 175083159) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide
PubChem CID175083159
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1)C1CNCCO1
InChIInChI=1S/C27H28N4O2/c1-19(25-17-28-14-15-33-25)29-27(32)22-12-13-23-24(16-22)31(18-20-8-4-2-5-9-20)26(30-23)21-10-6-3-7-11-21/h2-13,16,19,25,28H,14-15,17-18H2,1H3,(H,29,32)
InChIKeyAHJCYWZEVAUYIW-UHFFFAOYSA-N
XLogP3.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide (CID 175083159) is 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide is CC(NC(=O)c1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1)C1CNCCO1.
What is the InChIKey of 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide?
The InChIKey is AHJCYWZEVAUYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19(25-17-28-14-15-33-25)29-27(32)22-12-13-23-24(16-22)31(18-20-8-4-2-5-9-20)26(30-23)21-10-6-3-7-11-21/h2-13,16,19,25,28H,14-15,17-18H2,1H3,(H,29,32).
What are the key properties of 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide?
3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 175083159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).