1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine

C25H25Cl2N3S — CID 134084440

IUPAC1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine
SMILESCCCSc1ccc2nc(CNCc3ccc(Cl)cc3)n(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H25Cl2N3S/c1-2-12-31-22-10-11-23-24(14-22)30(17-19-4-3-5-21(27)13-19)25(29-23)16-28-15-18-6-8-20(26)9-7-18/h3-11,13-14,28H,2,12,15-17H2,1H3
InChIKeyPEGAFXOUDAVHBS-UHFFFAOYSA-N
MW470.47 g/mol
LogP7.18
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine

1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine (PubChem CID 134084440) has the molecular formula C25H25Cl2N3S and a molecular weight of 470.47 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine
PubChem CID134084440
Molecular FormulaC25H25Cl2N3S
Molecular Weight470.47 g/mol
Exact Mass469.11
IUPAC Name1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine
SMILESCCCSc1ccc2nc(CNCc3ccc(Cl)cc3)n(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H25Cl2N3S/c1-2-12-31-22-10-11-23-24(14-22)30(17-19-4-3-5-21(27)13-19)25(29-23)16-28-15-18-6-8-20(26)9-7-18/h3-11,13-14,28H,2,12,15-17H2,1H3
InChIKeyPEGAFXOUDAVHBS-UHFFFAOYSA-N
XLogP7.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine with MolForge

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 134084441
1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole
CID 134084077
N-[(1-butyl-6-propylsulfanylbenzimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 134084402
1-(1,3-benzodioxol-5-yl)-N-[(1-butyl-6-propylsulfanylbenzimidazol-2-yl)methyl]methanamine
CID 134084404
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 134084273
2-(4-bromophenyl)-N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]ethanamine
CID 134084368
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 115471149
N-[1-[1-[(3-chlorophenyl)methyl]-5-propylsulfanylbenzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 134083577
2-(2-phenylethyl)-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084001
1-[(2-fluorophenyl)methyl]-2-(2-methylpropyl)-6-propylsulfanylbenzimidazole
CID 134084026
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine (CID 134084440) is 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine is CCCSc1ccc2nc(CNCc3ccc(Cl)cc3)n(Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine?
The InChIKey is PEGAFXOUDAVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3S/c1-2-12-31-22-10-11-23-24(14-22)30(17-19-4-3-5-21(27)13-19)25(29-23)16-28-15-18-6-8-20(26)9-7-18/h3-11,13-14,28H,2,12,15-17H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine?
1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine has a molecular weight of 470.47 g/mol, XLogP of 7.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 134084440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).