N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide

C20H18F2N4O — CID 143600802

IUPACN-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide
SMILESCC=C(/C(=C\NC)NC(=O)c1c(F)cccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18F2N4O/c1-3-12(19-24-15-9-4-5-10-16(15)25-19)17(11-23-2)26-20(27)18-13(21)7-6-8-14(18)22/h3-11,23H,1-2H3,(H,24,25)(H,26,27)/b12-3?,17-11+
InChIKeyAIACGFNYDHOEIA-FJRNPGPNSA-N
MW368.39 g/mol
LogP3.74
Rot. Bonds5

About N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide

N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide (PubChem CID 143600802) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide
PubChem CID143600802
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide
SMILESCC=C(/C(=C\NC)NC(=O)c1c(F)cccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18F2N4O/c1-3-12(19-24-15-9-4-5-10-16(15)25-19)17(11-23-2)26-20(27)18-13(21)7-6-8-14(18)22/h3-11,23H,1-2H3,(H,24,25)(H,26,27)/b12-3?,17-11+
InChIKeyAIACGFNYDHOEIA-FJRNPGPNSA-N
XLogP3.74
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-4-chlorohexa-2,4-dien-3-yl]-1H-benzimidazole
CID 123996924
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-6-fluorobenzamide
CID 60592461
ethyl (Z)-2-(1H-benzimidazol-2-yl)-3-(cyanoamino)prop-2-enoate
CID 5471367
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
N-(6-methyl-2-pyridinyl)-1H-benzimidazole-2-carboxamide
CID 14371315
(1E)-3-(1H-benzimidazol-2-yl)-1-N-methyl-2-N-(3-propylhex-1-en-2-yl)buta-1,3-diene-1,2-diamine;ethane
CID 143600899
N-acetyl-2,6-difluorobenzamide
CID 2805165

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide (CID 143600802) is N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide is CC=C(/C(=C\NC)NC(=O)c1c(F)cccc1F)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide?
The InChIKey is AIACGFNYDHOEIA-FJRNPGPNSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-3-12(19-24-15-9-4-5-10-16(15)25-19)17(11-23-2)26-20(27)18-13(21)7-6-8-14(18)22/h3-11,23H,1-2H3,(H,24,25)(H,26,27)/b12-3?,17-11+.
What are the key properties of N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide?
N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide has a molecular weight of 368.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-3-(1H-benzimidazol-2-yl)-1-(methylamino)penta-1,3-dien-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 143600802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).