2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide

C27H29N3O2 — CID 134127106

IUPAC2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)nc(C(C)Oc1ccccc1)n2CCc1ccccc1
InChIInChI=1S/C27H29N3O2/c1-19(2)28-27(31)22-14-15-25-24(18-22)29-26(20(3)32-23-12-8-5-9-13-23)30(25)17-16-21-10-6-4-7-11-21/h4-15,18-20H,16-17H2,1-3H3,(H,28,31)
InChIKeyJVKGQTIAALSOSF-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.56
Rot. Bonds8

About 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide

2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 134127106) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID134127106
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)nc(C(C)Oc1ccccc1)n2CCc1ccccc1
InChIInChI=1S/C27H29N3O2/c1-19(2)28-27(31)22-14-15-25-24(18-22)29-26(20(3)32-23-12-8-5-9-13-23)30(25)17-16-21-10-6-4-7-11-21/h4-15,18-20H,16-17H2,1-3H3,(H,28,31)
InChIKeyJVKGQTIAALSOSF-UHFFFAOYSA-N
XLogP5.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2-(1-phenoxyethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134127016
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole-5-carboxamide
CID 73352225
1-benzyl-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]benzimidazole-5-carboxamide
CID 4915611
2-[1-(cyclopropanecarbonylamino)-2-methylpropyl]-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 15475271
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967208
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
CID 177372430
4-[1-methyl-5-(2-phenylethylsulfonylamino)benzimidazol-2-yl]-N-propan-2-ylbenzamide
CID 50825233
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide (CID 134127106) is 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide is CC(C)NC(=O)c1ccc2c(c1)nc(C(C)Oc1ccccc1)n2CCc1ccccc1.
What is the InChIKey of 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is JVKGQTIAALSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-19(2)28-27(31)22-14-15-25-24(18-22)29-26(20(3)32-23-12-8-5-9-13-23)30(25)17-16-21-10-6-4-7-11-21/h4-15,18-20H,16-17H2,1-3H3,(H,28,31).
What are the key properties of 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide?
2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxyethyl)-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 134127106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).