N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide

C27H33N3O — CID 68689707

IUPACN,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H33N3O/c31-27(28-22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)30-24-19-11-10-18-23(24)29-26(30)21-14-6-2-7-15-21/h2,6-7,10-11,14-15,18-20,22,25H,1,3-5,8-9,12-13,16-17H2,(H,28,31)
InChIKeyLUTMMGPBXMXVGO-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.27
Rot. Bonds5

About N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide

N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide (PubChem CID 68689707) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
PubChem CID68689707
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H33N3O/c31-27(28-22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)30-24-19-11-10-18-23(24)29-26(30)21-14-6-2-7-15-21/h2,6-7,10-11,14-15,18-20,22,25H,1,3-5,8-9,12-13,16-17H2,(H,28,31)
InChIKeyLUTMMGPBXMXVGO-UHFFFAOYSA-N
XLogP6.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The IUPAC name of N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide (CID 68689707) is N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The InChIKey is LUTMMGPBXMXVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c31-27(28-22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)30-24-19-11-10-18-23(24)29-26(30)21-14-6-2-7-15-21/h2,6-7,10-11,14-15,18-20,22,25H,1,3-5,8-9,12-13,16-17H2,(H,28,31).
What are the key properties of N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide has a molecular weight of 415.58 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 68689707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).