2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide

C19H22F2N6O — CID 46972380

IUPAC2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide
SMILESCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccnn3C(F)F)ccc21
InChIInChI=1S/C19H22F2N6O/c1-25-15-6-5-13(23-18(28)16-7-8-22-27(16)19(20)21)11-14(15)24-17(25)12-26-9-3-2-4-10-26/h5-8,11,19H,2-4,9-10,12H2,1H3,(H,23,28)
InChIKeyYWTMOUDAIMEXOT-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.40
Rot. Bonds5

About 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide (PubChem CID 46972380) has the molecular formula C19H22F2N6O and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide
PubChem CID46972380
Molecular FormulaC19H22F2N6O
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Name2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide
SMILESCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccnn3C(F)F)ccc21
InChIInChI=1S/C19H22F2N6O/c1-25-15-6-5-13(23-18(28)16-7-8-22-27(16)19(20)21)11-14(15)24-17(25)12-26-9-3-2-4-10-26/h5-8,11,19H,2-4,9-10,12H2,1H3,(H,23,28)
InChIKeyYWTMOUDAIMEXOT-UHFFFAOYSA-N
XLogP3.40
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 46972152
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46968531
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 92589506
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572
4-fluoro-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 50745138
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide (CID 46972380) is 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide is Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccnn3C(F)F)ccc21.
What is the InChIKey of 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide?
The InChIKey is YWTMOUDAIMEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O/c1-25-15-6-5-13(23-18(28)16-7-8-22-27(16)19(20)21)11-14(15)24-17(25)12-26-9-3-2-4-10-26/h5-8,11,19H,2-4,9-10,12H2,1H3,(H,23,28).
What are the key properties of 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 46972380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).