3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea

C12H16N4O3 — CID 108885821

IUPAC3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc2nc[nH]c2c1)N(CCO)CCO
InChIInChI=1S/C12H16N4O3/c17-5-3-16(4-6-18)12(19)15-9-1-2-10-11(7-9)14-8-13-10/h1-2,7-8,17-18H,3-6H2,(H,13,14)(H,15,19)
InChIKeyKJGMDSHTIRAUKE-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.38
Rot. Bonds5

About 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea

3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea (PubChem CID 108885821) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea
PubChem CID108885821
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(Nc1ccc2nc[nH]c2c1)N(CCO)CCO
InChIInChI=1S/C12H16N4O3/c17-5-3-16(4-6-18)12(19)15-9-1-2-10-11(7-9)14-8-13-10/h1-2,7-8,17-18H,3-6H2,(H,13,14)(H,15,19)
InChIKeyKJGMDSHTIRAUKE-UHFFFAOYSA-N
XLogP0.38
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3H-benzimidazol-5-yl)-1-butyl-1-propylurea
CID 108885891
N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526708
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea
CID 108885872
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 108529252
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide
CID 108814811
1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea
CID 108913655
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea (CID 108885821) is 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea is O=C(Nc1ccc2nc[nH]c2c1)N(CCO)CCO.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is KJGMDSHTIRAUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-5-3-16(4-6-18)12(19)15-9-1-2-10-11(7-9)14-8-13-10/h1-2,7-8,17-18H,3-6H2,(H,13,14)(H,15,19).
What are the key properties of 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea?
3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 264.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 108885821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).