(1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine

C19H18N4S — CID 68897783

IUPAC(1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine
SMILESCCn1cnc2cc(C(N)c3cccc(-c4nccs4)c3)ccc21
InChIInChI=1S/C19H18N4S/c1-2-23-12-22-16-11-14(6-7-17(16)23)18(20)13-4-3-5-15(10-13)19-21-8-9-24-19/h3-12,18H,2,20H2,1H3
InChIKeySYVSFLPJPHGIFT-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.23
Rot. Bonds4

About (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine

(1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine (PubChem CID 68897783) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine
PubChem CID68897783
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name(1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine
SMILESCCn1cnc2cc(C(N)c3cccc(-c4nccs4)c3)ccc21
InChIInChI=1S/C19H18N4S/c1-2-23-12-22-16-11-14(6-7-17(16)23)18(20)13-4-3-5-15(10-13)19-21-8-9-24-19/h3-12,18H,2,20H2,1H3
InChIKeySYVSFLPJPHGIFT-UHFFFAOYSA-N
XLogP4.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine?
The IUPAC name of (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine (CID 68897783) is (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine is CCn1cnc2cc(C(N)c3cccc(-c4nccs4)c3)ccc21.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine?
The InChIKey is SYVSFLPJPHGIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-2-23-12-22-16-11-14(6-7-17(16)23)18(20)13-4-3-5-15(10-13)19-21-8-9-24-19/h3-12,18H,2,20H2,1H3.
What are the key properties of (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine?
(1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine has a molecular weight of 334.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 68897783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).