1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine

C19H16F2N4S — CID 146422724

IUPAC1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine
SMILESNCC(N)(c1ccc2nc[nH]c2c1)c1ccc(-c2ccsc2)c(F)c1F
InChIInChI=1S/C19H16F2N4S/c20-17-13(11-5-6-26-8-11)2-3-14(18(17)21)19(23,9-22)12-1-4-15-16(7-12)25-10-24-15/h1-8,10H,9,22-23H2,(H,24,25)
InChIKeyLMVKZOZNHYGGQY-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.73
Rot. Bonds4

About 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine

1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine (PubChem CID 146422724) has the molecular formula C19H16F2N4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine
PubChem CID146422724
Molecular FormulaC19H16F2N4S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine
SMILESNCC(N)(c1ccc2nc[nH]c2c1)c1ccc(-c2ccsc2)c(F)c1F
InChIInChI=1S/C19H16F2N4S/c20-17-13(11-5-6-26-8-11)2-3-14(18(17)21)19(23,9-22)12-1-4-15-16(7-12)25-10-24-15/h1-8,10H,9,22-23H2,(H,24,25)
InChIKeyLMVKZOZNHYGGQY-UHFFFAOYSA-N
XLogP3.73
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine (CID 146422724) is 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine is NCC(N)(c1ccc2nc[nH]c2c1)c1ccc(-c2ccsc2)c(F)c1F.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine?
The InChIKey is LMVKZOZNHYGGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4S/c20-17-13(11-5-6-26-8-11)2-3-14(18(17)21)19(23,9-22)12-1-4-15-16(7-12)25-10-24-15/h1-8,10H,9,22-23H2,(H,24,25).
What are the key properties of 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine?
1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine has a molecular weight of 370.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-1-(2,3-difluoro-4-thiophen-3-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 146422724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).