N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide

C20H21FN4O2 — CID 126771204

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C20H21FN4O2/c21-15-6-2-1-5-14(15)18-13-25(11-12-27-18)20(26)22-10-9-19-23-16-7-3-4-8-17(16)24-19/h1-8,18H,9-13H2,(H,22,26)(H,23,24)
InChIKeyPRGMLHSKZJVKNK-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.03
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide (PubChem CID 126771204) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide
PubChem CID126771204
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)N1CCOC(c2ccccc2F)C1
InChIInChI=1S/C20H21FN4O2/c21-15-6-2-1-5-14(15)18-13-25(11-12-27-18)20(26)22-10-9-19-23-16-7-3-4-8-17(16)24-19/h1-8,18H,9-13H2,(H,22,26)(H,23,24)
InChIKeyPRGMLHSKZJVKNK-UHFFFAOYSA-N
XLogP3.03
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(2-naphthalen-1-ylethyl)morpholine-4-carboxamide
CID 102555836
2-(2-fluorophenyl)-N-(5-hydroxy-4,4-dimethylpentyl)morpholine-4-carboxamide
CID 111755074
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124564619
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
2-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]morpholine-4-carboxamide
CID 71879749
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
N-[2-(1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144627
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 41015281
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 17396832
4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
CID 46411383

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide (CID 126771204) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)N1CCOC(c2ccccc2F)C1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is PRGMLHSKZJVKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-15-6-2-1-5-14(15)18-13-25(11-12-27-18)20(26)22-10-9-19-23-16-7-3-4-8-17(16)24-19/h1-8,18H,9-13H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 126771204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).