1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea

C15H23N5O — CID 83108527

IUPAC1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
SMILESCC(NCCNC(=O)N(C)C)c1nc2ccccc2n1C
InChIInChI=1S/C15H23N5O/c1-11(16-9-10-17-15(21)19(2)3)14-18-12-7-5-6-8-13(12)20(14)4/h5-8,11,16H,9-10H2,1-4H3,(H,17,21)
InChIKeySKBXYQGWKMZFND-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.50
Rot. Bonds5

About 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea

1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea (PubChem CID 83108527) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
PubChem CID83108527
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
SMILESCC(NCCNC(=O)N(C)C)c1nc2ccccc2n1C
InChIInChI=1S/C15H23N5O/c1-11(16-9-10-17-15(21)19(2)3)14-18-12-7-5-6-8-13(12)20(14)4/h5-8,11,16H,9-10H2,1-4H3,(H,17,21)
InChIKeySKBXYQGWKMZFND-UHFFFAOYSA-N
XLogP1.50
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N,N-dimethyl-2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43573947
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115898723
N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 103917265
tert-butyl 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]acetate
CID 81455314
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 125446947
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea (CID 83108527) is 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea is CC(NCCNC(=O)N(C)C)c1nc2ccccc2n1C.
What is the InChIKey of 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea?
The InChIKey is SKBXYQGWKMZFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(16-9-10-17-15(21)19(2)3)14-18-12-7-5-6-8-13(12)20(14)4/h5-8,11,16H,9-10H2,1-4H3,(H,17,21).
What are the key properties of 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea?
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea has a molecular weight of 289.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea is sourced from PubChem (CID 83108527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).