2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate

C19H18F2N4O4 — CID 56561529

IUPAC2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1
InChIInChI=1S/C19H18F2N4O4/c1-28-7-8-29-19(27)23-13-4-2-3-12(10-13)22-18(26)11-5-6-14-15(9-11)25-17(24-14)16(20)21/h2-6,9-10,16H,7-8H2,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyVTNOPGWDQJDPET-UHFFFAOYSA-N
MW404.37 g/mol
LogP3.95
Rot. Bonds7

About 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate

2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate (PubChem CID 56561529) has the molecular formula C19H18F2N4O4 and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
PubChem CID56561529
Molecular FormulaC19H18F2N4O4
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC Name2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1
InChIInChI=1S/C19H18F2N4O4/c1-28-7-8-29-19(27)23-13-4-2-3-12(10-13)22-18(26)11-5-6-14-15(9-11)25-17(24-14)16(20)21/h2-6,9-10,16H,7-8H2,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyVTNOPGWDQJDPET-UHFFFAOYSA-N
XLogP3.95
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
CID 167851863
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
2-(difluoromethyl)-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 145039648
2-(difluoromethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 56561232
2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 56553741
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561316
N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56539158
2-(difluoromethyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 56563980

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate (CID 56561529) is 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate?
The InChIKey is VTNOPGWDQJDPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4/c1-28-7-8-29-19(27)23-13-4-2-3-12(10-13)22-18(26)11-5-6-14-15(9-11)25-17(24-14)16(20)21/h2-6,9-10,16H,7-8H2,1H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate?
2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate has a molecular weight of 404.37 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 56561529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).