3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine

C15H17N3S — CID 43325843

IUPAC3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine
SMILESCC(C)(C)n1c(-c2ccsc2N)nc2ccccc21
InChIInChI=1S/C15H17N3S/c1-15(2,3)18-12-7-5-4-6-11(12)17-14(18)10-8-9-19-13(10)16/h4-9H,16H2,1-3H3
InChIKeyHHQPLTDCCIOECD-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.10
Rot. Bonds1

About 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine

3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine (PubChem CID 43325843) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine
PubChem CID43325843
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine
SMILESCC(C)(C)n1c(-c2ccsc2N)nc2ccccc21
InChIInChI=1S/C15H17N3S/c1-15(2,3)18-12-7-5-4-6-11(12)17-14(18)10-8-9-19-13(10)16/h4-9H,16H2,1-3H3
InChIKeyHHQPLTDCCIOECD-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-tert-butylbenzimidazol-2-yl)-4-methylaniline
CID 43142698
4-(1-tert-butylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79403111
5-bromo-2-(1-tert-butylbenzimidazol-2-yl)aniline
CID 60915849
2-(1-tert-butylbenzimidazol-2-yl)-3-chloroaniline
CID 63723778
5-[1-tert-butyl-2-[2-(1,3-thiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine
CID 53236255
1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
CID 20728113
1-tert-butyl-2-ethynylbenzimidazole
CID 165467683
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784251
3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60786421
4-[(1-tert-butylbenzimidazol-2-yl)methyl]aniline
CID 43142702
3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 60783425
2-phenyl-1-(trifluoromethyl)benzimidazole
CID 123856722

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine?
The IUPAC name of 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine (CID 43325843) is 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine?
The canonical SMILES for 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine is CC(C)(C)n1c(-c2ccsc2N)nc2ccccc21.
What is the InChIKey of 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine?
The InChIKey is HHQPLTDCCIOECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-15(2,3)18-12-7-5-4-6-11(12)17-14(18)10-8-9-19-13(10)16/h4-9H,16H2,1-3H3.
What are the key properties of 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine?
3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine has a molecular weight of 271.39 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylbenzimidazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 43325843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).