4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine

C19H23N3S — CID 67586993

IUPAC4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine
SMILESCC(C)CN(C)c1nc2c(SCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C19H23N3S/c1-14(2)12-22(3)19-20-16-10-7-11-17(18(16)21-19)23-13-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyFYBVXXYQIGTDMG-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.95
Rot. Bonds6

About 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine

4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine (PubChem CID 67586993) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine
PubChem CID67586993
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine
SMILESCC(C)CN(C)c1nc2c(SCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C19H23N3S/c1-14(2)12-22(3)19-20-16-10-7-11-17(18(16)21-19)23-13-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyFYBVXXYQIGTDMG-UHFFFAOYSA-N
XLogP4.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 416770
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
2-((1H-Benzimidazol-2-ylsulfinyl)methyl)-N,N-dimethylbenzenamine
CID 119157
N-benzyl-1H-1,3-benzodiazol-2-amine
CID 563446
6-ethylsulfonyl-2-(3-phenylphenyl)-1H-benzimidazole
CID 56649677
1H-1,3-benzimidazol-2-ylmethyl phenyl sulfide
CID 1486498
Leminoprazole
CID 65881
2-(3-phenylphenyl)-6-propylsulfonyl-1H-benzimidazole
CID 66575661
2-(3-phenylpiperidin-1-yl)-6-propylsulfonyl-1H-benzimidazole
CID 71458601
2-(1H-Benzoimidazol-2-yl)-3-phenyl-2H-benzo[1,4]thiazine
CID 4162424
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylsulfanylacetamide
CID 1340147
2-[(benzylsulfanyl)methyl]-1H-benzimidazole
CID 1542201

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine (CID 67586993) is 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine is CC(C)CN(C)c1nc2c(SCc3ccccc3)cccc2[nH]1.
What is the InChIKey of 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine?
The InChIKey is FYBVXXYQIGTDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-14(2)12-22(3)19-20-16-10-7-11-17(18(16)21-19)23-13-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine?
4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine has a molecular weight of 325.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-N-methyl-N-(2-methylpropyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 67586993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).