1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea

C17H25N5O2 — CID 138056233

IUPAC1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea
SMILESCNC(=O)NCC1COCCN1CCc1nc2ccccc2n1C
InChIInChI=1S/C17H25N5O2/c1-18-17(23)19-11-13-12-24-10-9-22(13)8-7-16-20-14-5-3-4-6-15(14)21(16)2/h3-6,13H,7-12H2,1-2H3,(H2,18,19,23)
InChIKeyKUUZXSKPIIETED-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.75
Rot. Bonds5

About 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea

1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea (PubChem CID 138056233) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea
PubChem CID138056233
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea
SMILESCNC(=O)NCC1COCCN1CCc1nc2ccccc2n1C
InChIInChI=1S/C17H25N5O2/c1-18-17(23)19-11-13-12-24-10-9-22(13)8-7-16-20-14-5-3-4-6-15(14)21(16)2/h3-6,13H,7-12H2,1-2H3,(H2,18,19,23)
InChIKeyKUUZXSKPIIETED-UHFFFAOYSA-N
XLogP0.75
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 119908763
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113781
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
(3S)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)morpholine
CID 124984162
3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 119068190

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea (CID 138056233) is 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea is CNC(=O)NCC1COCCN1CCc1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea?
The InChIKey is KUUZXSKPIIETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-18-17(23)19-11-13-12-24-10-9-22(13)8-7-16-20-14-5-3-4-6-15(14)21(16)2/h3-6,13H,7-12H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea?
1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea has a molecular weight of 331.42 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholin-3-yl]methyl]urea is sourced from PubChem (CID 138056233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).