N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C19H16N6S — CID 89347923

IUPACN-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESC1=NCCN1c1ccc(-c2csc(Nc3ccc4nc[nH]c4c3)n2)cc1
InChIInChI=1S/C19H16N6S/c1-4-15(25-8-7-20-12-25)5-2-13(1)18-10-26-19(24-18)23-14-3-6-16-17(9-14)22-11-21-16/h1-6,9-12H,7-8H2,(H,21,22)(H,23,24)
InChIKeyUIMGGOFDAQZCRT-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.28
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 89347923) has the molecular formula C19H16N6S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID89347923
Molecular FormulaC19H16N6S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC NameN-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESC1=NCCN1c1ccc(-c2csc(Nc3ccc4nc[nH]c4c3)n2)cc1
InChIInChI=1S/C19H16N6S/c1-4-15(25-8-7-20-12-25)5-2-13(1)18-10-26-19(24-18)23-14-3-6-16-17(9-14)22-11-21-16/h1-6,9-12H,7-8H2,(H,21,22)(H,23,24)
InChIKeyUIMGGOFDAQZCRT-UHFFFAOYSA-N
XLogP4.28
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 89347923) is N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is C1=NCCN1c1ccc(-c2csc(Nc3ccc4nc[nH]c4c3)n2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is UIMGGOFDAQZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S/c1-4-15(25-8-7-20-12-25)5-2-13(1)18-10-26-19(24-18)23-14-3-6-16-17(9-14)22-11-21-16/h1-6,9-12H,7-8H2,(H,21,22)(H,23,24).
What are the key properties of N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 360.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89347923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).