1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)-

C14H10N2S — CID 1508979

IUPAC1-prop-2-ynyl-2-thiophen-2-ylbenzimidazole
SMILESC#CCN1C2=CC=CC=C2N=C1C3=CC=CS3
InChIInChI=1S/C14H10N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h1,3-8,10H,9H2
InChIKeyLZQUAATYENFJJN-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.00
Rot. Bonds2

About 1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)-

1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)- (PubChem CID 1508979) has the molecular formula C14H10N2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-prop-2-ynyl-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)-
PubChem CID1508979
Molecular FormulaC14H10N2S
Molecular Weight238.31 g/mol
Exact Mass238.06
IUPAC Name1-prop-2-ynyl-2-thiophen-2-ylbenzimidazole
SMILESC#CCN1C2=CC=CC=C2N=C1C3=CC=CS3
InChIInChI=1S/C14H10N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h1,3-8,10H,9H2
InChIKeyLZQUAATYENFJJN-UHFFFAOYSA-N
XLogP3.00
TPSA46.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity321

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-Methyl-2-thienyl)-1H-benzimidazole
CID 870214
2-(2-thienyl)-1H-benzimidazole
CID 506600
Agl 2043
CID 9817165
1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
n-Methylthiabendazole
CID 612049
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
(1-Phenyl-1H-benzoimidazol-5-yl)-thiophen-2-ylmethyl-amine
CID 950037
2-ethynyl-1-methyl-1H-1,3-benzodiazole
CID 12208757
3-(2-Methoxyethyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 1947381
3-(3-Methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 2001972
1,3-dimethyl-2-(thiophen-2-yl)-1H-benzo[d]imidazol-3-ium chloride
CID 2866315
1-propyl-N-(thiophen-2-ylmethyl)-1H-benzimidazol-5-amine
CID 6621436

Frequently Asked Questions

What is the IUPAC name of 1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)-?
The IUPAC name of 1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)- (CID 1508979) is 1-prop-2-ynyl-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)-?
The canonical SMILES for 1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)- is C#CCN1C2=CC=CC=C2N=C1C3=CC=CS3.
What is the InChIKey of 1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)-?
The InChIKey is LZQUAATYENFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h1,3-8,10H,9H2.
What are the key properties of 1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)-?
1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)- has a molecular weight of 238.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)- is sourced from PubChem (CID 1508979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).