(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide

C15H19FN4O2 — CID 124697386

IUPAC(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCn1c(CCNC(=O)[C@@H]2CNCCO2)nc2cc(F)ccc21
InChIInChI=1S/C15H19FN4O2/c1-20-12-3-2-10(16)8-11(12)19-14(20)4-5-18-15(21)13-9-17-6-7-22-13/h2-3,8,13,17H,4-7,9H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyPDNBZJBRYNRBAO-ZDUSSCGKSA-N
MW306.34 g/mol
LogP0.36
Rot. Bonds4

About (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide

(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide (PubChem CID 124697386) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
PubChem CID124697386
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCn1c(CCNC(=O)[C@@H]2CNCCO2)nc2cc(F)ccc21
InChIInChI=1S/C15H19FN4O2/c1-20-12-3-2-10(16)8-11(12)19-14(20)4-5-18-15(21)13-9-17-6-7-22-13/h2-3,8,13,17H,4-7,9H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyPDNBZJBRYNRBAO-ZDUSSCGKSA-N
XLogP0.36
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120941579
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 119888867
3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882360
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882368
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119882386
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927
(2R,3R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492650
(2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 99824773
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide (CID 124697386) is (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide is Cn1c(CCNC(=O)[C@@H]2CNCCO2)nc2cc(F)ccc21.
What is the InChIKey of (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is PDNBZJBRYNRBAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-20-12-3-2-10(16)8-11(12)19-14(20)4-5-18-15(21)13-9-17-6-7-22-13/h2-3,8,13,17H,4-7,9H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide?
(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 124697386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).