N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine

C19H14N6S — CID 58910669

IUPACN-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1cn(-c2ccc(-c3csc(Nc4ccc5nc[nH]c5c4)n3)cc2)cn1
InChIInChI=1S/C19H14N6S/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/h1-12H,(H,21,22)(H,23,24)
InChIKeyLZNUTRJFJLZVSK-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.62
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine

N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 58910669) has the molecular formula C19H14N6S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID58910669
Molecular FormulaC19H14N6S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC NameN-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1cn(-c2ccc(-c3csc(Nc4ccc5nc[nH]c5c4)n3)cc2)cn1
InChIInChI=1S/C19H14N6S/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/h1-12H,(H,21,22)(H,23,24)
InChIKeyLZNUTRJFJLZVSK-UHFFFAOYSA-N
XLogP4.62
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3H-benzimidazol-5-yl)-4-[4-(4,5-dihydroimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89347923
4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine
CID 58910753
N-(4-bromophenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910449
N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910748
4-(4-imidazol-1-ylphenyl)-N-(1H-indazol-3-yl)-1,3-thiazol-2-amine
CID 58911089
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910769
1-N-(3-ethyl-6-methyl-2-pyridinyl)-3-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
CID 58910776
4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910706
N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214634
4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58911143
N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 86580247
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 87078195

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine (CID 58910669) is N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine is c1cn(-c2ccc(-c3csc(Nc4ccc5nc[nH]c5c4)n3)cc2)cn1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LZNUTRJFJLZVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6S/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/h1-12H,(H,21,22)(H,23,24).
What are the key properties of N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 358.43 g/mol, XLogP of 4.62, 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-imidazol-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).