N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide

C21H24FN3O2 — CID 70742457

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C21H24FN3O2/c1-21(2,27)10-9-14-5-4-6-15(11-14)20(26)25(3)13-19-23-17-8-7-16(22)12-18(17)24-19/h4-8,11-12,27H,9-10,13H2,1-3H3,(H,23,24)
InChIKeyCUVVAEJHXHZJRM-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.68
Rot. Bonds6

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide (PubChem CID 70742457) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
PubChem CID70742457
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C21H24FN3O2/c1-21(2,27)10-9-14-5-4-6-15(11-14)20(26)25(3)13-19-23-17-8-7-16(22)12-18(17)24-19/h4-8,11-12,27H,9-10,13H2,1-3H3,(H,23,24)
InChIKeyCUVVAEJHXHZJRM-UHFFFAOYSA-N
XLogP3.68
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 70761369
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 70786055
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
CID 131926246
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 59836648
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137094516
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 56874874
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 122566230
4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 70751420
1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 25284756

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide (CID 70742457) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide is CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide?
The InChIKey is CUVVAEJHXHZJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-21(2,27)10-9-14-5-4-6-15(11-14)20(26)25(3)13-19-23-17-8-7-16(22)12-18(17)24-19/h4-8,11-12,27H,9-10,13H2,1-3H3,(H,23,24).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide has a molecular weight of 369.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide is sourced from PubChem (CID 70742457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).