2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine

C14H19N3O — CID 116868530

IUPAC2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
SMILESCc1nc2ccc(CCC3CNCCO3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10-16-13-5-3-11(8-14(13)17-10)2-4-12-9-15-6-7-18-12/h3,5,8,12,15H,2,4,6-7,9H2,1H3,(H,16,17)
InChIKeyWQGYLNWTBOXXCN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.79
Rot. Bonds3

About 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine

2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine (PubChem CID 116868530) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
PubChem CID116868530
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
SMILESCc1nc2ccc(CCC3CNCCO3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10-16-13-5-3-11(8-14(13)17-10)2-4-12-9-15-6-7-18-12/h3,5,8,12,15H,2,4,6-7,9H2,1H3,(H,16,17)
InChIKeyWQGYLNWTBOXXCN-UHFFFAOYSA-N
XLogP1.79
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868529
2-[2-(4-tert-butylphenyl)ethyl]morpholine
CID 83652133
2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209022
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride
CID 11725026
N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
CID 125161756
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116868515
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115207103
N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine
CID 115237653
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine?
The IUPAC name of 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine (CID 116868530) is 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine?
The canonical SMILES for 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine is Cc1nc2ccc(CCC3CNCCO3)cc2[nH]1.
What is the InChIKey of 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine?
The InChIKey is WQGYLNWTBOXXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-16-13-5-3-11(8-14(13)17-10)2-4-12-9-15-6-7-18-12/h3,5,8,12,15H,2,4,6-7,9H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine?
2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine has a molecular weight of 245.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 116868530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).