amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol

C15H15N3OS — CID 142841934

IUPACamino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol
SMILESNC(O)c1cccc2[nH]c(SCc3ccccc3)nc12
InChIInChI=1S/C15H15N3OS/c16-14(19)11-7-4-8-12-13(11)18-15(17-12)20-9-10-5-2-1-3-6-10/h1-8,14,19H,9,16H2,(H,17,18)
InChIKeyHIHWOGSSUNHELW-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.80
Rot. Bonds4

About amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol

amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol (PubChem CID 142841934) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol.

Molecular Properties

Compound Nameamino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol
PubChem CID142841934
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Nameamino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol
SMILESNC(O)c1cccc2[nH]c(SCc3ccccc3)nc12
InChIInChI=1S/C15H15N3OS/c16-14(19)11-7-4-8-12-13(11)18-15(17-12)20-9-10-5-2-1-3-6-10/h1-8,14,19H,9,16H2,(H,17,18)
InChIKeyHIHWOGSSUNHELW-UHFFFAOYSA-N
XLogP2.80
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(4-carbamoylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46214081
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
(2S)-2-amino-3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-pyridinyl]propanoic acid
CID 58678286
2-[(3-fluorophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46216616
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
2-benzylsulfanyl-5,6-difluoro-1H-benzimidazole
CID 52558968
3-amino-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoic acid
CID 139809523
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526
2-[(4-benzylsulfanyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 54362469
(2S)-2-amino-3-[3-[[4-[4-[5-[[3-[(2S)-2-amino-2-carboxyethyl]phenyl]methylsulfanyl]-2,3-dihydrotetrazol-1-yl]phenyl]-1H-benzimidazol-2-yl]sulfanylmethyl]phenyl]propanoic acid
CID 143236145
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 11822979
4-amino-2-benzylsulfanyl-1H-pyrimidin-6-one
CID 135412524

Frequently Asked Questions

What is the IUPAC name of amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol?
The IUPAC name of amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol (CID 142841934) is amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol.
What is the SMILES notation for amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol?
The canonical SMILES for amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol is NC(O)c1cccc2[nH]c(SCc3ccccc3)nc12.
What is the InChIKey of amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol?
The InChIKey is HIHWOGSSUNHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-14(19)11-7-4-8-12-13(11)18-15(17-12)20-9-10-5-2-1-3-6-10/h1-8,14,19H,9,16H2,(H,17,18).
What are the key properties of amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol?
amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol has a molecular weight of 285.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-benzylsulfanyl-1H-benzimidazol-4-yl)methanol is sourced from PubChem (CID 142841934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).