[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol

C17H19F2N3OS — CID 162616203

IUPAC[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol
SMILESCCc1ccc2ncn(C)c2c1CNC(O)c1csc(C(F)F)c1
InChIInChI=1S/C17H19F2N3OS/c1-3-10-4-5-13-15(22(2)9-21-13)12(10)7-20-17(23)11-6-14(16(18)19)24-8-11/h4-6,8-9,16-17,20,23H,3,7H2,1-2H3
InChIKeyGZXWQWGJNONEPU-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.92
Rot. Bonds6

About [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol

[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol (PubChem CID 162616203) has the molecular formula C17H19F2N3OS and a molecular weight of 351.42 g/mol. Its IUPAC name is [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol
PubChem CID162616203
Molecular FormulaC17H19F2N3OS
Molecular Weight351.42 g/mol
Exact Mass351.12
IUPAC Name[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol
SMILESCCc1ccc2ncn(C)c2c1CNC(O)c1csc(C(F)F)c1
InChIInChI=1S/C17H19F2N3OS/c1-3-10-4-5-13-15(22(2)9-21-13)12(10)7-20-17(23)11-6-14(16(18)19)24-8-11/h4-6,8-9,16-17,20,23H,3,7H2,1-2H3
InChIKeyGZXWQWGJNONEPU-UHFFFAOYSA-N
XLogP3.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol?
The IUPAC name of [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol (CID 162616203) is [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol.
What is the SMILES notation for [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol?
The canonical SMILES for [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol is CCc1ccc2ncn(C)c2c1CNC(O)c1csc(C(F)F)c1.
What is the InChIKey of [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol?
The InChIKey is GZXWQWGJNONEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3OS/c1-3-10-4-5-13-15(22(2)9-21-13)12(10)7-20-17(23)11-6-14(16(18)19)24-8-11/h4-6,8-9,16-17,20,23H,3,7H2,1-2H3.
What are the key properties of [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol?
[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol has a molecular weight of 351.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol is sourced from PubChem (CID 162616203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).