3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine

C18H15N3S — CID 23853277

IUPAC3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine
SMILESCn1c(-c2c(-c3ccccc3)csc2N)nc2ccccc21
InChIInChI=1S/C18H15N3S/c1-21-15-10-6-5-9-14(15)20-18(21)16-13(11-22-17(16)19)12-7-3-2-4-8-12/h2-11H,19H2,1H3
InChIKeyZTOAOIKZZZLIIY-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.55
Rot. Bonds2

About 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine

3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine (PubChem CID 23853277) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine
PubChem CID23853277
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine
SMILESCn1c(-c2c(-c3ccccc3)csc2N)nc2ccccc21
InChIInChI=1S/C18H15N3S/c1-21-15-10-6-5-9-14(15)20-18(21)16-13(11-22-17(16)19)12-7-3-2-4-8-12/h2-11H,19H2,1H3
InChIKeyZTOAOIKZZZLIIY-UHFFFAOYSA-N
XLogP4.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine (CID 23853277) is 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine is Cn1c(-c2c(-c3ccccc3)csc2N)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine?
The InChIKey is ZTOAOIKZZZLIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-21-15-10-6-5-9-14(15)20-18(21)16-13(11-22-17(16)19)12-7-3-2-4-8-12/h2-11H,19H2,1H3.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine?
3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine has a molecular weight of 305.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine is sourced from PubChem (CID 23853277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).