3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine

C15H15N3S — CID 63616690

IUPAC3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc3ccccc3n2C2CC2)c(N)s1
InChIInChI=1S/C15H15N3S/c1-9-8-11(14(16)19-9)15-17-12-4-2-3-5-13(12)18(15)10-6-7-10/h2-5,8,10H,6-7,16H2,1H3
InChIKeyAPJGJBYONPPEBP-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.99
Rot. Bonds2

About 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine

3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine (PubChem CID 63616690) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine
PubChem CID63616690
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc3ccccc3n2C2CC2)c(N)s1
InChIInChI=1S/C15H15N3S/c1-9-8-11(14(16)19-9)15-17-12-4-2-3-5-13(12)18(15)10-6-7-10/h2-5,8,10H,6-7,16H2,1H3
InChIKeyAPJGJBYONPPEBP-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine (CID 63616690) is 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine is Cc1cc(-c2nc3ccccc3n2C2CC2)c(N)s1.
What is the InChIKey of 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine?
The InChIKey is APJGJBYONPPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-8-11(14(16)19-9)15-17-12-4-2-3-5-13(12)18(15)10-6-7-10/h2-5,8,10H,6-7,16H2,1H3.
What are the key properties of 3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine?
3-(1-cyclopropylbenzimidazol-2-yl)-5-methylthiophen-2-amine has a molecular weight of 269.37 g/mol, XLogP of 3.99, 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)-5-methylthiophen-2-amine is sourced from PubChem (CID 63616690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).