4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine

C18H19N3S — CID 168553666

IUPAC4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine
SMILESc1ccc(-c2nc3ccccc3[nH]2)c(CN2CCSCC2)c1
InChIInChI=1S/C18H19N3S/c1-2-6-15(14(5-1)13-21-9-11-22-12-10-21)18-19-16-7-3-4-8-17(16)20-18/h1-8H,9-13H2,(H,19,20)
InChIKeyYNEJKULGZQZANN-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.78
Rot. Bonds3

About 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine

4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine (PubChem CID 168553666) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine
PubChem CID168553666
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine
SMILESc1ccc(-c2nc3ccccc3[nH]2)c(CN2CCSCC2)c1
InChIInChI=1S/C18H19N3S/c1-2-6-15(14(5-1)13-21-9-11-22-12-10-21)18-19-16-7-3-4-8-17(16)20-18/h1-8H,9-13H2,(H,19,20)
InChIKeyYNEJKULGZQZANN-UHFFFAOYSA-N
XLogP3.78
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553890
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
CID 168554741
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553858
N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 168553825
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
CID 42632541
2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
CID 17448653
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 59679963

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine?
The IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine (CID 168553666) is 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine?
The canonical SMILES for 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine is c1ccc(-c2nc3ccccc3[nH]2)c(CN2CCSCC2)c1.
What is the InChIKey of 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine?
The InChIKey is YNEJKULGZQZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-2-6-15(14(5-1)13-21-9-11-22-12-10-21)18-19-16-7-3-4-8-17(16)20-18/h1-8H,9-13H2,(H,19,20).
What are the key properties of 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine?
4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine has a molecular weight of 309.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine is sourced from PubChem (CID 168553666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).