N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide

C17H16FN3O3 — CID 111110998

IUPACN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC(O)COc1ccc(F)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H16FN3O3/c18-12-2-4-14(5-3-12)24-9-13(22)8-19-17(23)11-1-6-15-16(7-11)21-10-20-15/h1-7,10,13,22H,8-9H2,(H,19,23)(H,20,21)
InChIKeyNHMIPQPTYLFCEG-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.87
Rot. Bonds6

About N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide (PubChem CID 111110998) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
PubChem CID111110998
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC(O)COc1ccc(F)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H16FN3O3/c18-12-2-4-14(5-3-12)24-9-13(22)8-19-17(23)11-1-6-15-16(7-11)21-10-20-15/h1-7,10,13,22H,8-9H2,(H,19,23)(H,20,21)
InChIKeyNHMIPQPTYLFCEG-UHFFFAOYSA-N
XLogP1.87
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 94819249
3-(3H-benzimidazole-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166620
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 95233211
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
N-(2-aminobutyl)-3H-benzimidazole-5-carboxamide
CID 63731791
methyl (2S)-3-(3H-benzimidazole-5-carbonylamino)-2-(methylamino)propanoate
CID 170637256
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 111423702
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide (CID 111110998) is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide is O=C(NCC(O)COc1ccc(F)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is NHMIPQPTYLFCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-12-2-4-14(5-3-12)24-9-13(22)8-19-17(23)11-1-6-15-16(7-11)21-10-20-15/h1-7,10,13,22H,8-9H2,(H,19,23)(H,20,21).
What are the key properties of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide?
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 111110998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).