3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea

C13H18N4O — CID 78917153

IUPAC3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-3-17(2)13(18)14-9-8-12-15-10-6-4-5-7-11(10)16-12/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,16)
InChIKeySNXFJFBUBZMEFB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.77
Rot. Bonds4

About 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea

3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea (PubChem CID 78917153) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
PubChem CID78917153
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-3-17(2)13(18)14-9-8-12-15-10-6-4-5-7-11(10)16-12/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,16)
InChIKeySNXFJFBUBZMEFB-UHFFFAOYSA-N
XLogP1.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(3,4-dichlorophenyl)methyl]-1-methylurea
CID 30306692
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
CID 55566777
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea
CID 24612809
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea (CID 78917153) is 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea?
The InChIKey is SNXFJFBUBZMEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-17(2)13(18)14-9-8-12-15-10-6-4-5-7-11(10)16-12/h4-7H,3,8-9H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea?
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea has a molecular weight of 246.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 78917153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).