1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea

C18H28N4O2 — CID 122558967

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea
SMILESCCN(CCc1nc2ccccc2[nH]1)C(=O)NCC(C)(C)COC
InChIInChI=1S/C18H28N4O2/c1-5-22(17(23)19-12-18(2,3)13-24-4)11-10-16-20-14-8-6-7-9-15(14)21-16/h6-9H,5,10-13H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyZDYLNRBNNBZQDU-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.81
Rot. Bonds8

About 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea

1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea (PubChem CID 122558967) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea
PubChem CID122558967
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea
SMILESCCN(CCc1nc2ccccc2[nH]1)C(=O)NCC(C)(C)COC
InChIInChI=1S/C18H28N4O2/c1-5-22(17(23)19-12-18(2,3)13-24-4)11-10-16-20-14-8-6-7-9-15(14)21-16/h6-9H,5,10-13H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyZDYLNRBNNBZQDU-UHFFFAOYSA-N
XLogP2.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714407
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]urea
CID 1454622
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-ethylurea;formic acid
CID 154909286
(1R,2R,4R)-N-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56753286
3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea
CID 1454656
4-[[2-(1H-benzimidazol-2-yl)ethyl-[(4-fluorophenyl)methyl]carbamoyl]amino]benzoic acid
CID 22300931
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylbenzamide
CID 131940469
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea (CID 122558967) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea is CCN(CCc1nc2ccccc2[nH]1)C(=O)NCC(C)(C)COC.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea?
The InChIKey is ZDYLNRBNNBZQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-22(17(23)19-12-18(2,3)13-24-4)11-10-16-20-14-8-6-7-9-15(14)21-16/h6-9H,5,10-13H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea?
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea has a molecular weight of 332.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-3-(3-methoxy-2,2-dimethylpropyl)urea is sourced from PubChem (CID 122558967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).