2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide

C25H34N4O — CID 68886192

IUPAC2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC1CCCCC1)C1(c2ccc(N)cc2)Nc2ccccc2N1
InChIInChI=1S/C25H34N4O/c1-17(2)16-21(24(30)27-20-8-4-3-5-9-20)25(18-12-14-19(26)15-13-18)28-22-10-6-7-11-23(22)29-25/h6-7,10-15,17,20-21,28-29H,3-5,8-9,16,26H2,1-2H3,(H,27,30)
InChIKeyWTAHCUGLCAMSKZ-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.07
Rot. Bonds6

About 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide

2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide (PubChem CID 68886192) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide
PubChem CID68886192
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC1CCCCC1)C1(c2ccc(N)cc2)Nc2ccccc2N1
InChIInChI=1S/C25H34N4O/c1-17(2)16-21(24(30)27-20-8-4-3-5-9-20)25(18-12-14-19(26)15-13-18)28-22-10-6-7-11-23(22)29-25/h6-7,10-15,17,20-21,28-29H,3-5,8-9,16,26H2,1-2H3,(H,27,30)
InChIKeyWTAHCUGLCAMSKZ-UHFFFAOYSA-N
XLogP5.07
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68889730
N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68887889
N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide
CID 68887043
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 68887519
N,2-dicyclohexyl-2-[2-(3-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68890623
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide
CID 18338652
2-(2-aminoethyl)-N-cyclopentyl-4-methylpentanamide
CID 112515388
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
CID 63233776
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68886012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide?
The IUPAC name of 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide (CID 68886192) is 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide?
The canonical SMILES for 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide is CC(C)CC(C(=O)NC1CCCCC1)C1(c2ccc(N)cc2)Nc2ccccc2N1.
What is the InChIKey of 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide?
The InChIKey is WTAHCUGLCAMSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-17(2)16-21(24(30)27-20-8-4-3-5-9-20)25(18-12-14-19(26)15-13-18)28-22-10-6-7-11-23(22)29-25/h6-7,10-15,17,20-21,28-29H,3-5,8-9,16,26H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide?
2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide has a molecular weight of 406.57 g/mol, XLogP of 5.07, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide is sourced from PubChem (CID 68886192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).