3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide

C27H28N4O2 — CID 141496217

IUPAC3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C27H28N4O2/c32-27(28-13-14-30-15-17-33-18-16-30)23-11-12-24-25(19-23)31(20-21-7-3-1-4-8-21)26(29-24)22-9-5-2-6-10-22/h1-12,19H,13-18,20H2,(H,28,32)
InChIKeyUIFRVDMMGPRQNN-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.81
Rot. Bonds7

About 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide

3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide (PubChem CID 141496217) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
PubChem CID141496217
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C27H28N4O2/c32-27(28-13-14-30-15-17-33-18-16-30)23-11-12-24-25(19-23)31(20-21-7-3-1-4-8-21)26(29-24)22-9-5-2-6-10-22/h1-12,19H,13-18,20H2,(H,28,32)
InChIKeyUIFRVDMMGPRQNN-UHFFFAOYSA-N
XLogP3.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 83289834
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CID 90040181
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
N-(2-morpholin-4-ylethyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916111
2-(1,3-benzodioxol-5-yl)-3-benzyl-N-ethylbenzimidazole-5-carboxamide
CID 101126103
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
9-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-N-(2-morpholin-4-ylethyl)carbazole-3,5-dicarboxamide
CID 78426406
3-benzyl-N-(1-morpholin-2-ylethyl)-2-phenylbenzimidazole-5-carboxamide
CID 175083159
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide (CID 141496217) is 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide is O=C(NCCN1CCOCC1)c1ccc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide?
The InChIKey is UIFRVDMMGPRQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-27(28-13-14-30-15-17-33-18-16-30)23-11-12-24-25(19-23)31(20-21-7-3-1-4-8-21)26(29-24)22-9-5-2-6-10-22/h1-12,19H,13-18,20H2,(H,28,32).
What are the key properties of 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide?
3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 141496217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).