3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide

C25H29Cl2N3O2 — CID 67555896

IUPAC3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide
SMILESCC(C)CCC(C)CC(=O)c1ccc(C(=O)NC(C)c2nc3ccc(Cl)cc3[nH]2)cc1Cl
InChIInChI=1S/C25H29Cl2N3O2/c1-14(2)5-6-15(3)11-23(31)19-9-7-17(12-20(19)27)25(32)28-16(4)24-29-21-10-8-18(26)13-22(21)30-24/h7-10,12-16H,5-6,11H2,1-4H3,(H,28,32)(H,29,30)
InChIKeyQUXYSAZFQNERPM-UHFFFAOYSA-N
MW474.43 g/mol
LogP7.01
Rot. Bonds9

About 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide

3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide (PubChem CID 67555896) has the molecular formula C25H29Cl2N3O2 and a molecular weight of 474.43 g/mol. Its IUPAC name is 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide
PubChem CID67555896
Molecular FormulaC25H29Cl2N3O2
Molecular Weight474.43 g/mol
Exact Mass473.16
IUPAC Name3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide
SMILESCC(C)CCC(C)CC(=O)c1ccc(C(=O)NC(C)c2nc3ccc(Cl)cc3[nH]2)cc1Cl
InChIInChI=1S/C25H29Cl2N3O2/c1-14(2)5-6-15(3)11-23(31)19-9-7-17(12-20(19)27)25(32)28-16(4)24-29-21-10-8-18(26)13-22(21)30-24/h7-10,12-16H,5-6,11H2,1-4H3,(H,28,32)(H,29,30)
InChIKeyQUXYSAZFQNERPM-UHFFFAOYSA-N
XLogP7.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]carbamoyl]benzoic acid
CID 69309783
2-chloro-4-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-N-ethylbenzene-1,4-dicarboxamide
CID 71096341
4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide
CID 59655320
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]benzamide
CID 59655302
3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]benzamide
CID 59655135
3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-(hydroperoxymethyl)pyrrolidine-1-carbonyl]benzamide
CID 89270175
(2S)-N-(2-amino-2-oxoethyl)-1-[2-chloro-4-[[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]carbamoyl]benzoyl]pyrrolidine-2-carboxamide
CID 69315326
3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(1,4-diazepan-1-yl)benzamide
CID 11154693
3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[3-(methylamino)-3-oxopropyl]pyrrolidine-1-carbonyl]benzamide
CID 59655213
3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(oxazinan-2-yl)benzamide
CID 59711671
3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[2-[1-(ethylamino)pentyl]piperidine-1-carbonyl]benzamide
CID 69309834

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide?
The IUPAC name of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide (CID 67555896) is 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide.
What is the SMILES notation for 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide?
The canonical SMILES for 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide is CC(C)CCC(C)CC(=O)c1ccc(C(=O)NC(C)c2nc3ccc(Cl)cc3[nH]2)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide?
The InChIKey is QUXYSAZFQNERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O2/c1-14(2)5-6-15(3)11-23(31)19-9-7-17(12-20(19)27)25(32)28-16(4)24-29-21-10-8-18(26)13-22(21)30-24/h7-10,12-16H,5-6,11H2,1-4H3,(H,28,32)(H,29,30).
What are the key properties of 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide?
3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide has a molecular weight of 474.43 g/mol, XLogP of 7.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3,6-dimethylheptanoyl)benzamide is sourced from PubChem (CID 67555896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).