5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole

C23H16Cl2N4O — CID 122189106

IUPAC5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C23H16Cl2N4O/c1-30-16-9-7-14(8-10-16)22-17(13-29(28-22)15-5-3-2-4-6-15)23-26-20-11-18(24)19(25)12-21(20)27-23/h2-13H,1H3,(H,26,27)
InChIKeyUDFHUTQKFCVRIV-UHFFFAOYSA-N
MW435.31 g/mol
LogP6.40
Rot. Bonds4

About 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole

5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (PubChem CID 122189106) has the molecular formula C23H16Cl2N4O and a molecular weight of 435.31 g/mol. Its IUPAC name is 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
PubChem CID122189106
Molecular FormulaC23H16Cl2N4O
Molecular Weight435.31 g/mol
Exact Mass434.07
IUPAC Name5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C23H16Cl2N4O/c1-30-16-9-7-14(8-10-16)22-17(13-29(28-22)15-5-3-2-4-6-15)23-26-20-11-18(24)19(25)12-21(20)27-23/h2-13H,1H3,(H,26,27)
InChIKeyUDFHUTQKFCVRIV-UHFFFAOYSA-N
XLogP6.40
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine
CID 10316980
4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135439792
(Z)-2-(1H-benzo[d]imidazol-2-yl)-3-(3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
CID 16428857
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
CID 4869116
N-{[3-(2-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(4-methyl-1H-imidazol-2-yl)ethanamine
CID 16187530
4-[6-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-2-(4-methoxyphenyl)morpholine
CID 57394293
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole
CID 122189082
2-[3-(4-Methoxyphenyl)-1-phenyl-1 h-pyrazol-4-yl]-1 h-benzimidazole
CID 122189098
4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 127044428
6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 134145381
1-(3,4-Dichlorophenyl)-3-(3-(1-(4-methoxybenzyl)-1,4-dihydroimidazo[4,5-c]pyrazol-5-yl)-4-methylphenyl)urea
CID 136086832
2-[4-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboximidamide;hydrochloride
CID 145949154

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (CID 122189106) is 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The InChIKey is UDFHUTQKFCVRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O/c1-30-16-9-7-14(8-10-16)22-17(13-29(28-22)15-5-3-2-4-6-15)23-26-20-11-18(24)19(25)12-21(20)27-23/h2-13H,1H3,(H,26,27).
What are the key properties of 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole has a molecular weight of 435.31 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 122189106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).