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

C12H16N4O — CID 43224751

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-2-13-12(17)14-8-7-11-15-9-5-3-4-6-10(9)16-11/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyZSJIMUKUCYNEHQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.42
Rot. Bonds4

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

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea (PubChem CID 43224751) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
PubChem CID43224751
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-2-13-12(17)14-8-7-11-15-9-5-3-4-6-10(9)16-11/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyZSJIMUKUCYNEHQ-UHFFFAOYSA-N
XLogP1.42
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
(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
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
CID 59018321
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978308
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea (CID 43224751) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea is CCNC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea?
The InChIKey is ZSJIMUKUCYNEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-13-12(17)14-8-7-11-15-9-5-3-4-6-10(9)16-11/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea?
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea has a molecular weight of 232.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea is sourced from PubChem (CID 43224751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).