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

C23H24ClN3OS — CID 134084441

IUPACN-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESCCCSc1ccc2nc(CNCc3ccco3)n(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C23H24ClN3OS/c1-2-11-29-20-8-9-21-22(13-20)27(16-17-5-3-6-18(24)12-17)23(26-21)15-25-14-19-7-4-10-28-19/h3-10,12-13,25H,2,11,14-16H2,1H3
InChIKeyRYOJWSRVKFJEEW-UHFFFAOYSA-N
MW425.99 g/mol
LogP6.12
Rot. Bonds9

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

N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 134084441) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID134084441
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESCCCSc1ccc2nc(CNCc3ccco3)n(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C23H24ClN3OS/c1-2-11-29-20-8-9-21-22(13-20)27(16-17-5-3-6-18(24)12-17)23(26-21)15-25-14-19-7-4-10-28-19/h3-10,12-13,25H,2,11,14-16H2,1H3
InChIKeyRYOJWSRVKFJEEW-UHFFFAOYSA-N
XLogP6.12
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(4-chlorophenyl)-N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]methanamine
CID 134084440
N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 134084189
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
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960
1-(1,3-benzodioxol-5-yl)-N-[(1-butyl-6-propylsulfanylbenzimidazol-2-yl)methyl]methanamine
CID 134084404
N-[1-[1-[(3-chlorophenyl)methyl]-5-propylsulfanylbenzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 134083577
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]-N-methylmethanamine
CID 46310263
2-(2-phenylethyl)-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084001
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 134084273
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
CID 46310200

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 134084441) is N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine is CCCSc1ccc2nc(CNCc3ccco3)n(Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is RYOJWSRVKFJEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3OS/c1-2-11-29-20-8-9-21-22(13-20)27(16-17-5-3-6-18(24)12-17)23(26-21)15-25-14-19-7-4-10-28-19/h3-10,12-13,25H,2,11,14-16H2,1H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 425.99 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 134084441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).