4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide

C21H24ClN3O — CID 16984560

IUPAC4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESCC(C)Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H24ClN3O/c1-15(2)14-25-19-7-4-3-6-18(19)24-20(25)8-5-13-23-21(26)16-9-11-17(22)12-10-16/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3,(H,23,26)
InChIKeySKMIDCIJBAMOSO-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.71
Rot. Bonds7

About 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide

4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984560) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16984560
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESCC(C)Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H24ClN3O/c1-15(2)14-25-19-7-4-3-6-18(19)24-20(25)8-5-13-23-21(26)16-9-11-17(22)12-10-16/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3,(H,23,26)
InChIKeySKMIDCIJBAMOSO-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991383
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
3,4-dimethoxy-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 7080090
4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16984255
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16984574
4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581
4-chloro-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984605
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide
CID 4753648
4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide (CID 16984560) is 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide is CC(C)Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is SKMIDCIJBAMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-15(2)14-25-19-7-4-3-6-18(19)24-20(25)8-5-13-23-21(26)16-9-11-17(22)12-10-16/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3,(H,23,26).
What are the key properties of 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide?
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 369.90 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).