[1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine

C17H19N3S — CID 65037808

IUPAC[1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine
SMILESCCc1ccc(-c2nc3cc(CN)ccc3n2C2CC2)s1
InChIInChI=1S/C17H19N3S/c1-2-13-6-8-16(21-13)17-19-14-9-11(10-18)3-7-15(14)20(17)12-4-5-12/h3,6-9,12H,2,4-5,10,18H2,1H3
InChIKeyGLGWIWABNSYWNS-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.12
Rot. Bonds4

About [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine

[1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine (PubChem CID 65037808) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine
PubChem CID65037808
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name[1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine
SMILESCCc1ccc(-c2nc3cc(CN)ccc3n2C2CC2)s1
InChIInChI=1S/C17H19N3S/c1-2-13-6-8-16(21-13)17-19-14-9-11(10-18)3-7-15(14)20(17)12-4-5-12/h3,6-9,12H,2,4-5,10,18H2,1H3
InChIKeyGLGWIWABNSYWNS-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine (CID 65037808) is [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine is CCc1ccc(-c2nc3cc(CN)ccc3n2C2CC2)s1.
What is the InChIKey of [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine?
The InChIKey is GLGWIWABNSYWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-13-6-8-16(21-13)17-19-14-9-11(10-18)3-7-15(14)20(17)12-4-5-12/h3,6-9,12H,2,4-5,10,18H2,1H3.
What are the key properties of [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine?
[1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine has a molecular weight of 297.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-2-(5-ethylthiophen-2-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65037808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).