2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

C16H14N4S — CID 728731

IUPAC2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
SMILESCc1cc(C)c2c(N)c(-c3nc4ccccc4[nH]3)sc2n1
InChIInChI=1S/C16H14N4S/c1-8-7-9(2)18-16-12(8)13(17)14(21-16)15-19-10-5-3-4-6-11(10)20-15/h3-7H,17H2,1-2H3,(H,19,20)
InChIKeyLQRQQOBBDZBTMV-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.04
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine (PubChem CID 728731) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
PubChem CID728731
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
SMILESCc1cc(C)c2c(N)c(-c3nc4ccccc4[nH]3)sc2n1
InChIInChI=1S/C16H14N4S/c1-8-7-9(2)18-16-12(8)13(17)14(21-16)15-19-10-5-3-4-6-11(10)20-15/h3-7H,17H2,1-2H3,(H,19,20)
InChIKeyLQRQQOBBDZBTMV-UHFFFAOYSA-N
XLogP4.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
CID 121004860
5-(1H-benzimidazol-2-yl)-2-N-(2,4,6-trimethylphenyl)-1,3-thiazole-2,4-diamine
CID 130424081
4-(1H-benzimidazol-2-yl)-2-chloro-6-methylaniline
CID 139992920
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
CID 135995577
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-[4-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 91972680
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole
CID 169002843
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
CID 171981650

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine (CID 728731) is 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine is Cc1cc(C)c2c(N)c(-c3nc4ccccc4[nH]3)sc2n1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The InChIKey is LQRQQOBBDZBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-8-7-9(2)18-16-12(8)13(17)14(21-16)15-19-10-5-3-4-6-11(10)20-15/h3-7H,17H2,1-2H3,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine has a molecular weight of 294.38 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 728731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).