4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride

C22H28Cl4N4O — CID 11752496

IUPAC4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride
SMILESCC(C)NCCNC(=O)c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C(C)C)cc1.Cl.Cl
InChIInChI=1S/C22H26Cl2N4O.2ClH/c1-13(2)25-9-10-26-22(29)16-7-5-15(6-8-16)21-27-19-11-17(23)18(24)12-20(19)28(21)14(3)4;;/h5-8,11-14,25H,9-10H2,1-4H3,(H,26,29);2*1H
InChIKeyPMXAMUZBFIDYRF-UHFFFAOYSA-N
MW506.31 g/mol
LogP6.16
Rot. Bonds7

About 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride

4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride (PubChem CID 11752496) has the molecular formula C22H28Cl4N4O and a molecular weight of 506.31 g/mol. Its IUPAC name is 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride
PubChem CID11752496
Molecular FormulaC22H28Cl4N4O
Molecular Weight506.31 g/mol
Exact Mass504.10
IUPAC Name4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride
SMILESCC(C)NCCNC(=O)c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C(C)C)cc1.Cl.Cl
InChIInChI=1S/C22H26Cl2N4O.2ClH/c1-13(2)25-9-10-26-22(29)16-7-5-15(6-8-16)21-27-19-11-17(23)18(24)12-20(19)28(21)14(3)4;;/h5-8,11-14,25H,9-10H2,1-4H3,(H,26,29);2*1H
InChIKeyPMXAMUZBFIDYRF-UHFFFAOYSA-N
XLogP6.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.31
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride 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

3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884
4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 4915131
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62658425
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone
CID 96679913
methyl 1-[(4-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]benzimidazole-5-carboxylate
CID 4915435
1-benzyl-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]benzimidazole-5-carboxamide
CID 4915611
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
CID 104698506
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride (CID 11752496) is 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride is CC(C)NCCNC(=O)c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C(C)C)cc1.Cl.Cl.
What is the InChIKey of 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is PMXAMUZBFIDYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O.2ClH/c1-13(2)25-9-10-26-22(29)16-7-5-15(6-8-16)21-27-19-11-17(23)18(24)12-20(19)28(21)14(3)4;;/h5-8,11-14,25H,9-10H2,1-4H3,(H,26,29);2*1H.
What are the key properties of 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride?
4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 506.31 g/mol, XLogP of 6.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(propan-2-ylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 11752496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).