N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide

C20H22FN3O2 — CID 55595818

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
SMILESCC(C)C(NC(=O)CCOc1ccc(F)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H22FN3O2/c1-13(2)19(20-22-16-5-3-4-6-17(16)23-20)24-18(25)11-12-26-15-9-7-14(21)8-10-15/h3-10,13,19H,11-12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyZDOWKHUVIVCRJL-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.98
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide (PubChem CID 55595818) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
PubChem CID55595818
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
SMILESCC(C)C(NC(=O)CCOc1ccc(F)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H22FN3O2/c1-13(2)19(20-22-16-5-3-4-6-17(16)23-20)24-18(25)11-12-26-15-9-7-14(21)8-10-15/h3-10,13,19H,11-12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyZDOWKHUVIVCRJL-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-fluorophenoxy)butanamide
CID 60550031
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide
CID 4780870
2-(4-anilinophenoxy)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 40716491
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
(E)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 8927995
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55344683

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide (CID 55595818) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide is CC(C)C(NC(=O)CCOc1ccc(F)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide?
The InChIKey is ZDOWKHUVIVCRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13(2)19(20-22-16-5-3-4-6-17(16)23-20)24-18(25)11-12-26-15-9-7-14(21)8-10-15/h3-10,13,19H,11-12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide has a molecular weight of 355.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 55595818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).