3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

C16H17N3S — CID 43325877

IUPAC3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3ccccc3n2C2CC2)c1C
InChIInChI=1S/C16H17N3S/c1-9-10(2)20-15(17)14(9)16-18-12-5-3-4-6-13(12)19(16)11-7-8-11/h3-6,11H,7-8,17H2,1-2H3
InChIKeyXPFDFMZFYHYCNK-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.30
Rot. Bonds2

About 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (PubChem CID 43325877) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
PubChem CID43325877
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3ccccc3n2C2CC2)c1C
InChIInChI=1S/C16H17N3S/c1-9-10(2)20-15(17)14(9)16-18-12-5-3-4-6-13(12)19(16)11-7-8-11/h3-6,11H,7-8,17H2,1-2H3
InChIKeyXPFDFMZFYHYCNK-UHFFFAOYSA-N
XLogP4.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785646
3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine
CID 63616690
2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol
CID 60980790
4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 62794484
4-bromo-3-(1-cyclopropylbenzimidazol-2-yl)aniline
CID 115296226
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
(1S,2R,4R)-4-(2-aminobenzimidazol-1-yl)cyclohexane-1,2-diol
CID 139447792
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397633
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397659
2-phenyl-1-piperidin-4-ylbenzimidazole
CID 21222159
5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol
CID 170036549
1-(1-cyclopropylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 43142729

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (CID 43325877) is 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is Cc1sc(N)c(-c2nc3ccccc3n2C2CC2)c1C.
What is the InChIKey of 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The InChIKey is XPFDFMZFYHYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-9-10(2)20-15(17)14(9)16-18-12-5-3-4-6-13(12)19(16)11-7-8-11/h3-6,11H,7-8,17H2,1-2H3.
What are the key properties of 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 43325877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).