N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride

C18H25Cl2N3O2 — CID 160532663

IUPACN-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)C1CCc2nc[nH]c2C1.Cl.[H][H]
InChIInChI=1S/C18H22ClN3O2.ClH.H2/c1-22(8-3-9-24-15-5-2-4-14(19)11-15)18(23)13-6-7-16-17(10-13)21-12-20-16;;/h2,4-5,11-13H,3,6-10H2,1H3,(H,20,21);2*1H
InChIKeyHORQSNMAOCQBDV-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.76
Rot. Bonds6

About N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride

N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride (PubChem CID 160532663) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
PubChem CID160532663
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)C1CCc2nc[nH]c2C1.Cl.[H][H]
InChIInChI=1S/C18H22ClN3O2.ClH.H2/c1-22(8-3-9-24-15-5-2-4-14(19)11-15)18(23)13-6-7-16-17(10-13)21-12-20-16;;/h2,4-5,11-13H,3,6-10H2,1H3,(H,20,21);2*1H
InChIKeyHORQSNMAOCQBDV-UHFFFAOYSA-N
XLogP3.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride 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-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride (CID 160532663) is N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride is CN(CCCOc1cccc(Cl)c1)C(=O)C1CCc2nc[nH]c2C1.Cl.[H][H].
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride?
The InChIKey is HORQSNMAOCQBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2.ClH.H2/c1-22(8-3-9-24-15-5-2-4-14(19)11-15)18(23)13-6-7-16-17(10-13)21-12-20-16;;/h2,4-5,11-13H,3,6-10H2,1H3,(H,20,21);2*1H.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride?
N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride has a molecular weight of 386.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride is sourced from PubChem (CID 160532663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).