1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide

C24H25F2N5O3 — CID 163200540

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
SMILESCCn1cc(CNC(=O)c2ccc3c(c2)n(C(C)C)c(=O)n3-c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C24H25F2N5O3/c1-4-29-14-16(13-28-29)12-27-22(32)17-8-9-20-21(10-17)30(15(2)3)24(33)31(20)18-6-5-7-19(11-18)34-23(25)26/h5-11,13-15,23H,4,12H2,1-3H3,(H,27,32)
InChIKeyMJWVUIBWKLJREB-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.12
Rot. Bonds8

About 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide

1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 163200540) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID163200540
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
SMILESCCn1cc(CNC(=O)c2ccc3c(c2)n(C(C)C)c(=O)n3-c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C24H25F2N5O3/c1-4-29-14-16(13-28-29)12-27-22(32)17-8-9-20-21(10-17)30(15(2)3)24(33)31(20)18-6-5-7-19(11-18)34-23(25)26/h5-11,13-15,23H,4,12H2,1-3H3,(H,27,32)
InChIKeyMJWVUIBWKLJREB-UHFFFAOYSA-N
XLogP4.12
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide (CID 163200540) is 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide is CCn1cc(CNC(=O)c2ccc3c(c2)n(C(C)C)c(=O)n3-c2cccc(OC(F)F)c2)cn1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is MJWVUIBWKLJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-4-29-14-16(13-28-29)12-27-22(32)17-8-9-20-21(10-17)30(15(2)3)24(33)31(20)18-6-5-7-19(11-18)34-23(25)26/h5-11,13-15,23H,4,12H2,1-3H3,(H,27,32).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide?
1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 163200540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).