N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride

C19H24ClN3 — CID 171151744

IUPACN-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride
SMILESCCCn1c(CN(C)Cc2ccccc2)nc2ccccc21.Cl
InChIInChI=1S/C19H23N3.ClH/c1-3-13-22-18-12-8-7-11-17(18)20-19(22)15-21(2)14-16-9-5-4-6-10-16;/h4-12H,3,13-15H2,1-2H3;1H
InChIKeyLVGAPUOXTIULGU-UHFFFAOYSA-N
MW329.88 g/mol
LogP4.50
Rot. Bonds6

About N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride

N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride (PubChem CID 171151744) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride
PubChem CID171151744
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC NameN-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride
SMILESCCCn1c(CN(C)Cc2ccccc2)nc2ccccc21.Cl
InChIInChI=1S/C19H23N3.ClH/c1-3-13-22-18-12-8-7-11-17(18)20-19(22)15-21(2)14-16-9-5-4-6-10-16;/h4-12H,3,13-15H2,1-2H3;1H
InChIKeyLVGAPUOXTIULGU-UHFFFAOYSA-N
XLogP4.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride 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

N,N'-dimethyl-N'-[(1-propylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 79753322
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 84585943
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride (CID 171151744) is N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride is CCCn1c(CN(C)Cc2ccccc2)nc2ccccc21.Cl.
What is the InChIKey of N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride?
The InChIKey is LVGAPUOXTIULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.ClH/c1-3-13-22-18-12-8-7-11-17(18)20-19(22)15-21(2)14-16-9-5-4-6-10-16;/h4-12H,3,13-15H2,1-2H3;1H.
What are the key properties of N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride?
N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride has a molecular weight of 329.88 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 171151744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).