1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole

C24H24N2S — CID 18878314

IUPAC1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
SMILESCCCCn1c(C(Sc2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H24N2S/c1-2-3-18-26-22-17-11-10-16-21(22)25-24(26)23(19-12-6-4-7-13-19)27-20-14-8-5-9-15-20/h4-17,23H,2-3,18H2,1H3
InChIKeyXAKSKJQOJNMIRM-UHFFFAOYSA-N
MW372.54 g/mol
LogP6.72
Rot. Bonds7

About 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole

1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole (PubChem CID 18878314) has the molecular formula C24H24N2S and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
PubChem CID18878314
Molecular FormulaC24H24N2S
Molecular Weight372.54 g/mol
Exact Mass372.17
IUPAC Name1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
SMILESCCCCn1c(C(Sc2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H24N2S/c1-2-3-18-26-22-17-11-10-16-21(22)25-24(26)23(19-12-6-4-7-13-19)27-20-14-8-5-9-15-20/h4-17,23H,2-3,18H2,1H3
InChIKeyXAKSKJQOJNMIRM-UHFFFAOYSA-N
XLogP6.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.54
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 18878377
1-[4-(3-methylphenoxy)butyl]-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 18878382
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
2-[phenyl(phenylsulfanyl)methyl]-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310697
3-[5-chloro-2-[phenyl(phenylsulfanyl)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309003
2-[2-[(R)-phenyl(phenylsulfanyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 35080198
bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane
CID 158515272
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole?
The IUPAC name of 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole (CID 18878314) is 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole.
What is the SMILES notation for 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole?
The canonical SMILES for 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole is CCCCn1c(C(Sc2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole?
The InChIKey is XAKSKJQOJNMIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2S/c1-2-3-18-26-22-17-11-10-16-21(22)25-24(26)23(19-12-6-4-7-13-19)27-20-14-8-5-9-15-20/h4-17,23H,2-3,18H2,1H3.
What are the key properties of 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole?
1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole has a molecular weight of 372.54 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole is sourced from PubChem (CID 18878314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).