N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C20H17N7S — CID 90467537

IUPACN-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3cncn3C)nc2cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H17N7S/c1-12-6-15-16(24-19(23-15)18-9-22-11-27(18)2)7-14(12)25-20-26-17(10-28-20)13-4-3-5-21-8-13/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyPRYBSJUPDNHERI-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.53
Rot. Bonds4

About N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 90467537) has the molecular formula C20H17N7S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID90467537
Molecular FormulaC20H17N7S
Molecular Weight387.47 g/mol
Exact Mass387.13
IUPAC NameN-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1cc2[nH]c(-c3cncn3C)nc2cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H17N7S/c1-12-6-15-16(24-19(23-15)18-9-22-11-27(18)2)7-14(12)25-20-26-17(10-28-20)13-4-3-5-21-8-13/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyPRYBSJUPDNHERI-UHFFFAOYSA-N
XLogP4.53
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 90466965
N-[6-methyl-2-[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 90466088
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511219
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 121363122
3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-(trideuterio(113C)methyl)benzene-1,3-diamine
CID 91971706
1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
CID 57473566
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine
CID 159379452
N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791492
4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide
CID 90467412
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 90467537) is N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1cc2[nH]c(-c3cncn3C)nc2cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is PRYBSJUPDNHERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7S/c1-12-6-15-16(24-19(23-15)18-9-22-11-27(18)2)7-14(12)25-20-26-17(10-28-20)13-4-3-5-21-8-13/h3-11H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 387.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90467537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).