N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide

C18H20FN3O2 — CID 143212121

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide
SMILESCC1=C(C(=O)N(C=O)CCc2nc3ccc(F)cc3[nH]2)CCCC1
InChIInChI=1S/C18H20FN3O2/c1-12-4-2-3-5-14(12)18(24)22(11-23)9-8-17-20-15-7-6-13(19)10-16(15)21-17/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyVDSJYGKBQOZGGK-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide (PubChem CID 143212121) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide
PubChem CID143212121
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide
SMILESCC1=C(C(=O)N(C=O)CCc2nc3ccc(F)cc3[nH]2)CCCC1
InChIInChI=1S/C18H20FN3O2/c1-12-4-2-3-5-14(12)18(24)22(11-23)9-8-17-20-15-7-6-13(19)10-16(15)21-17/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyVDSJYGKBQOZGGK-UHFFFAOYSA-N
XLogP3.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide
CID 135101659
(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride
CID 163334571
1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 91659482
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 95204074
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70782657
(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide
CID 118760636
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154864189

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide (CID 143212121) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide is CC1=C(C(=O)N(C=O)CCc2nc3ccc(F)cc3[nH]2)CCCC1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide?
The InChIKey is VDSJYGKBQOZGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-4-2-3-5-14(12)18(24)22(11-23)9-8-17-20-15-7-6-13(19)10-16(15)21-17/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide is sourced from PubChem (CID 143212121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).