N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride

C25H35Cl3N4 — CID 70062997

IUPACN,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride
SMILESCN(C)Cc1cccc2c1ncn2CCCCN1CC=C(c2ccccc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C25H32N4.3ClH/c1-27(2)19-23-11-8-12-24-25(23)26-20-29(24)16-7-6-15-28-17-13-22(14-18-28)21-9-4-3-5-10-21;;;/h3-5,8-13,20H,6-7,14-19H2,1-2H3;3*1H
InChIKeyMQOYGLQDAOPJIU-UHFFFAOYSA-N
MW497.94 g/mol
LogP5.93
Rot. Bonds8

About N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride

N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride (PubChem CID 70062997) has the molecular formula C25H35Cl3N4 and a molecular weight of 497.94 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride
PubChem CID70062997
Molecular FormulaC25H35Cl3N4
Molecular Weight497.94 g/mol
Exact Mass496.19
IUPAC NameN,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride
SMILESCN(C)Cc1cccc2c1ncn2CCCCN1CC=C(c2ccccc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C25H32N4.3ClH/c1-27(2)19-23-11-8-12-24-25(23)26-20-29(24)16-7-6-15-28-17-13-22(14-18-28)21-9-4-3-5-10-21;;;/h3-5,8-13,20H,6-7,14-19H2,1-2H3;3*1H
InChIKeyMQOYGLQDAOPJIU-UHFFFAOYSA-N
XLogP5.93
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.94
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride?
The IUPAC name of N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride (CID 70062997) is N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride?
The canonical SMILES for N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride is CN(C)Cc1cccc2c1ncn2CCCCN1CC=C(c2ccccc2)CC1.Cl.Cl.Cl.
What is the InChIKey of N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride?
The InChIKey is MQOYGLQDAOPJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4.3ClH/c1-27(2)19-23-11-8-12-24-25(23)26-20-29(24)16-7-6-15-28-17-13-22(14-18-28)21-9-4-3-5-10-21;;;/h3-5,8-13,20H,6-7,14-19H2,1-2H3;3*1H.
What are the key properties of N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride?
N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride has a molecular weight of 497.94 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazol-4-yl]methanamine;trihydrochloride is sourced from PubChem (CID 70062997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).