4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole

C15H14N6 — CID 139598949

IUPAC4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole
SMILESCc1c(-n2ccnc2-c2ccn[nH]2)cc2[nH]cnc2c1C
InChIInChI=1S/C15H14N6/c1-9-10(2)14-12(17-8-18-14)7-13(9)21-6-5-16-15(21)11-3-4-19-20-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFRWRIGRZJYVAQN-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.76
Rot. Bonds2

About 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole

4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole (PubChem CID 139598949) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole
PubChem CID139598949
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole
SMILESCc1c(-n2ccnc2-c2ccn[nH]2)cc2[nH]cnc2c1C
InChIInChI=1S/C15H14N6/c1-9-10(2)14-12(17-8-18-14)7-13(9)21-6-5-16-15(21)11-3-4-19-20-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFRWRIGRZJYVAQN-UHFFFAOYSA-N
XLogP2.76
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2,3-dimethylimidazol-4-yl)imidazol-1-yl]-4,5-dimethyl-1H-benzimidazole
CID 138810153
6-(2-cyclohex-3-en-1-ylimidazol-1-yl)-4,5-dimethyl-1H-benzimidazole;formic acid
CID 154921771
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole
CID 138382486
4,6-dimethyl-1H-benzimidazol-5-amine
CID 18400127
CID 58719682
CID 58719682
3-(1-methylimidazol-2-yl)-6-[3-(1H-pyrazol-5-yl)phenyl]pyridazine
CID 77084371
ethane;4-methyl-1H-benzimidazol-5-ol
CID 178031880
4-methyl-7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-1H-quinolin-2-one
CID 70707342
4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine
CID 139402374
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
CID 57358712
8-bromo-3,6-dimethyl-2-(1H-pyrazol-5-yl)quinazolin-4-one
CID 169212501
2-(2-methoxyphenyl)-1-[4-(1H-pyrazol-5-yl)phenyl]imidazole
CID 56873972

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole?
The IUPAC name of 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole (CID 139598949) is 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole.
What is the SMILES notation for 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole?
The canonical SMILES for 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole is Cc1c(-n2ccnc2-c2ccn[nH]2)cc2[nH]cnc2c1C.
What is the InChIKey of 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole?
The InChIKey is FRWRIGRZJYVAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-9-10(2)14-12(17-8-18-14)7-13(9)21-6-5-16-15(21)11-3-4-19-20-11/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole?
4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole has a molecular weight of 278.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[2-(1H-pyrazol-5-yl)imidazol-1-yl]-1H-benzimidazole is sourced from PubChem (CID 139598949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).