2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide

C29H38N4O — CID 175290170

IUPAC2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide
SMILESCN(C)c1cccc(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C29H38N4O/c1-32(2)24-17-11-12-21(20-24)27-31-25-18-9-10-19-26(25)33(27)29(28(30)34,22-13-5-3-6-14-22)23-15-7-4-8-16-23/h9-12,17-20,22-23H,3-8,13-16H2,1-2H3,(H2,30,34)
InChIKeyWSSADNCUPZQXRY-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.11
Rot. Bonds6

About 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide

2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide (PubChem CID 175290170) has the molecular formula C29H38N4O and a molecular weight of 458.65 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide
PubChem CID175290170
Molecular FormulaC29H38N4O
Molecular Weight458.65 g/mol
Exact Mass458.30
IUPAC Name2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide
SMILESCN(C)c1cccc(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C29H38N4O/c1-32(2)24-17-11-12-21(20-24)27-31-25-18-9-10-19-26(25)33(27)29(28(30)34,22-13-5-3-6-14-22)23-15-7-4-8-16-23/h9-12,17-20,22-23H,3-8,13-16H2,1-2H3,(H2,30,34)
InChIKeyWSSADNCUPZQXRY-UHFFFAOYSA-N
XLogP6.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide (CID 175290170) is 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide is CN(C)c1cccc(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide?
The InChIKey is WSSADNCUPZQXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O/c1-32(2)24-17-11-12-21(20-24)27-31-25-18-9-10-19-26(25)33(27)29(28(30)34,22-13-5-3-6-14-22)23-15-7-4-8-16-23/h9-12,17-20,22-23H,3-8,13-16H2,1-2H3,(H2,30,34).
What are the key properties of 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide?
2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide has a molecular weight of 458.65 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).