2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide

C21H23N3O — CID 163397662

IUPAC2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H23N3O/c25-20(13-15-7-3-1-4-8-15)22-17-11-12-18-19(14-17)24-21(23-18)16-9-5-2-6-10-16/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H,22,25)(H,23,24)
InChIKeyXTWPKIBUWAEBBD-UHFFFAOYSA-N
MW333.44 g/mol
LogP5.14
Rot. Bonds4

About 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide

2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 163397662) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
PubChem CID163397662
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H23N3O/c25-20(13-15-7-3-1-4-8-15)22-17-11-12-18-19(14-17)24-21(23-18)16-9-5-2-6-10-16/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H,22,25)(H,23,24)
InChIKeyXTWPKIBUWAEBBD-UHFFFAOYSA-N
XLogP5.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3106744
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CID 110796357
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
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2-(1-acetylazetidin-3-yl)oxy-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
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N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
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2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide (CID 163397662) is 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide is O=C(CC1CCCCC1)Nc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is XTWPKIBUWAEBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-20(13-15-7-3-1-4-8-15)22-17-11-12-18-19(14-17)24-21(23-18)16-9-5-2-6-10-16/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H,22,25)(H,23,24).
What are the key properties of 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 163397662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).