1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate

C20H16F2N4O2 — CID 71889746

IUPAC1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H16F2N4O2/c1-11-19(12(2)26(25-11)17-8-7-13(21)9-14(17)22)20(27)28-10-18-23-15-5-3-4-6-16(15)24-18/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyBCZSMBMRKRAUIV-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.00
Rot. Bonds4

About 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate

1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 71889746) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
PubChem CID71889746
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H16F2N4O2/c1-11-19(12(2)26(25-11)17-8-7-13(21)9-14(17)22)20(27)28-10-18-23-15-5-3-4-6-16(15)24-18/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyBCZSMBMRKRAUIV-UHFFFAOYSA-N
XLogP4.00
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-pyridinyl)methyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
CID 86877082
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 55639183
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
N-(1H-benzimidazol-2-ylmethyl)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45181977
1H-benzimidazol-2-ylmethyl propanoate
CID 20738516
N-(3-benzylsulfonylpropyl)-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55857915
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 52661680
1H-benzimidazol-2-ylmethyl 2-sulfanylacetate
CID 168757870
1H-benzimidazol-2-ylmethyl 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2453853
1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55639239
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913575

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate (CID 71889746) is 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is BCZSMBMRKRAUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-11-19(12(2)26(25-11)17-8-7-13(21)9-14(17)22)20(27)28-10-18-23-15-5-3-4-6-16(15)24-18/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate?
1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 382.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 71889746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).