6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide

C18H18FN3O2 — CID 97228107

IUPAC6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
SMILESC[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C18H18FN3O2/c1-11(7-16(23)12-5-3-2-4-6-12)22-18(24)14-8-13(19)9-15-17(14)21-10-20-15/h2-6,8-11,16,23H,7H2,1H3,(H,20,21)(H,22,24)/t11-,16+/m1/s1
InChIKeyPEEXZJNAWNNEFZ-BZNIZROVSA-N
MW327.36 g/mol
LogP2.94
Rot. Bonds5

About 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 97228107) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID97228107
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
SMILESC[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C18H18FN3O2/c1-11(7-16(23)12-5-3-2-4-6-12)22-18(24)14-8-13(19)9-15-17(14)21-10-20-15/h2-6,8-11,16,23H,7H2,1H3,(H,20,21)(H,22,24)/t11-,16+/m1/s1
InChIKeyPEEXZJNAWNNEFZ-BZNIZROVSA-N
XLogP2.94
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244
N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119585412
2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid
CID 91645207
6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120829118
6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide
CID 122140907
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119664829
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
CID 97228097
5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
CID 120636797
N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119597419
N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
CID 97228127
6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide
CID 75519838

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide (CID 97228107) is 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide is C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is PEEXZJNAWNNEFZ-BZNIZROVSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11(7-16(23)12-5-3-2-4-6-12)22-18(24)14-8-13(19)9-15-17(14)21-10-20-15/h2-6,8-11,16,23H,7H2,1H3,(H,20,21)(H,22,24)/t11-,16+/m1/s1.
What are the key properties of 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 97228107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).