N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide

C18H16Cl2FN3O — CID 134059923

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
SMILESCC(C)C(NC(=O)c1cc(F)c(Cl)cc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H16Cl2FN3O/c1-9(2)16(17-22-14-5-3-4-6-15(14)23-17)24-18(25)10-7-13(21)12(20)8-11(10)19/h3-9,16H,1-2H3,(H,22,23)(H,24,25)
InChIKeyALFYNKYLTMVNBB-UHFFFAOYSA-N
MW380.25 g/mol
LogP5.14
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide (PubChem CID 134059923) has the molecular formula C18H16Cl2FN3O and a molecular weight of 380.25 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
PubChem CID134059923
Molecular FormulaC18H16Cl2FN3O
Molecular Weight380.25 g/mol
Exact Mass379.07
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
SMILESCC(C)C(NC(=O)c1cc(F)c(Cl)cc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H16Cl2FN3O/c1-9(2)16(17-22-14-5-3-4-6-15(14)23-17)24-18(25)10-7-13(21)12(20)8-11(10)19/h3-9,16H,1-2H3,(H,22,23)(H,24,25)
InChIKeyALFYNKYLTMVNBB-UHFFFAOYSA-N
XLogP5.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.25
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-chloro-2-methoxybenzamide
CID 95248304
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide
CID 55812514
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-chloro-4,5-difluorobenzamide
CID 2330762
2-chloro-N-[(1S)-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropyl]benzamide
CID 1476306
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide (CID 134059923) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide is CC(C)C(NC(=O)c1cc(F)c(Cl)cc1Cl)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide?
The InChIKey is ALFYNKYLTMVNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN3O/c1-9(2)16(17-22-14-5-3-4-6-15(14)23-17)24-18(25)10-7-13(21)12(20)8-11(10)19/h3-9,16H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide has a molecular weight of 380.25 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide is sourced from PubChem (CID 134059923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).