2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid

C18H25FN4O3 — CID 120606698

IUPAC2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCn1c(CN2CCOC(CN(C)CC(=O)O)C2)nc2cc(F)ccc21
InChIInChI=1S/C18H25FN4O3/c1-3-23-16-5-4-13(19)8-15(16)20-17(23)11-22-6-7-26-14(10-22)9-21(2)12-18(24)25/h4-5,8,14H,3,6-7,9-12H2,1-2H3,(H,24,25)
InChIKeyCKXALCNSGNWPKO-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.41
Rot. Bonds7

About 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 120606698) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID120606698
Molecular FormulaC18H25FN4O3
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCn1c(CN2CCOC(CN(C)CC(=O)O)C2)nc2cc(F)ccc21
InChIInChI=1S/C18H25FN4O3/c1-3-23-16-5-4-13(19)8-15(16)20-17(23)11-22-6-7-26-14(10-22)9-21(2)12-18(24)25/h4-5,8,14H,3,6-7,9-12H2,1-2H3,(H,24,25)
InChIKeyCKXALCNSGNWPKO-UHFFFAOYSA-N
XLogP1.41
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606697
2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043789
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129475210
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71967888
2-[[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606681
2-[methyl-[[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 120606707

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 120606698) is 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid is CCn1c(CN2CCOC(CN(C)CC(=O)O)C2)nc2cc(F)ccc21.
What is the InChIKey of 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is CKXALCNSGNWPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3/c1-3-23-16-5-4-13(19)8-15(16)20-17(23)11-22-6-7-26-14(10-22)9-21(2)12-18(24)25/h4-5,8,14H,3,6-7,9-12H2,1-2H3,(H,24,25).
What are the key properties of 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 364.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 120606698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).