N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide

C19H17F2N3O3 — CID 42928503

IUPACN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H17F2N3O3/c1-11(17-23-13-4-2-3-5-14(13)24(17)19(20)21)9-22-18(25)12-6-7-15-16(8-12)27-10-26-15/h2-8,11,19H,9-10H2,1H3,(H,22,25)
InChIKeyUOZGDMDBEVSFGR-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.69
Rot. Bonds5

About N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42928503) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42928503
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H17F2N3O3/c1-11(17-23-13-4-2-3-5-14(13)24(17)19(20)21)9-22-18(25)12-6-7-15-16(8-12)27-10-26-15/h2-8,11,19H,9-10H2,1H3,(H,22,25)
InChIKeyUOZGDMDBEVSFGR-UHFFFAOYSA-N
XLogP3.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42932140
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide
CID 42928501
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 42928507
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
CID 51931515
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17481526
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 25388372
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 71788660
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 120651877

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide (CID 42928503) is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide is CC(CNC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UOZGDMDBEVSFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-11(17-23-13-4-2-3-5-14(13)24(17)19(20)21)9-22-18(25)12-6-7-15-16(8-12)27-10-26-15/h2-8,11,19H,9-10H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42928503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).