5-methoxy-1-thiophen-2-ylbenzimidazole

C12H10N2OS — CID 5328492

IUPAC5-methoxy-1-thiophen-2-ylbenzimidazole
SMILESCOc1ccc2c(c1)ncn2-c1cccs1
InChIInChI=1S/C12H10N2OS/c1-15-9-4-5-11-10(7-9)13-8-14(11)12-3-2-6-16-12/h2-8H,1H3
InChIKeyWSBDTCAGQYGFIR-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.10
Rot. Bonds2

About 5-methoxy-1-thiophen-2-ylbenzimidazole

5-methoxy-1-thiophen-2-ylbenzimidazole (PubChem CID 5328492) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-methoxy-1-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name5-methoxy-1-thiophen-2-ylbenzimidazole
PubChem CID5328492
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name5-methoxy-1-thiophen-2-ylbenzimidazole
SMILESCOc1ccc2c(c1)ncn2-c1cccs1
InChIInChI=1S/C12H10N2OS/c1-15-9-4-5-11-10(7-9)13-8-14(11)12-3-2-6-16-12/h2-8H,1H3
InChIKeyWSBDTCAGQYGFIR-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
1-Phenylbenzimidazole deriv. 95
CID 5328493
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile
CID 11625181
5-butoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328500
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[2-(morpholin-4-yl)ethoxy]thiophene-2-carbonitrile
CID 11546115
N,N-dimethyl-1-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]methanethioamide
CID 5328516
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-hydroxythiophene-2-carbonitrile
CID 25190916

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-thiophen-2-ylbenzimidazole?
The IUPAC name of 5-methoxy-1-thiophen-2-ylbenzimidazole (CID 5328492) is 5-methoxy-1-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 5-methoxy-1-thiophen-2-ylbenzimidazole?
The canonical SMILES for 5-methoxy-1-thiophen-2-ylbenzimidazole is COc1ccc2c(c1)ncn2-c1cccs1.
What is the InChIKey of 5-methoxy-1-thiophen-2-ylbenzimidazole?
The InChIKey is WSBDTCAGQYGFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-15-9-4-5-11-10(7-9)13-8-14(11)12-3-2-6-16-12/h2-8H,1H3.
What are the key properties of 5-methoxy-1-thiophen-2-ylbenzimidazole?
5-methoxy-1-thiophen-2-ylbenzimidazole has a molecular weight of 230.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 5328492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).