1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea

C10H11N5O2 — CID 135580435

IUPAC1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
SMILESC/C(=N\NC(=O)NO)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N5O2/c1-6(13-14-10(16)15-17)9-11-7-4-2-3-5-8(7)12-9/h2-5,17H,1H3,(H,11,12)(H2,14,15,16)/b13-6+
InChIKeyAMBLYIYMWRVHGB-AWNIVKPZSA-N
MW233.23 g/mol
LogP0.98
Rot. Bonds2

About 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea

1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea (PubChem CID 135580435) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
PubChem CID135580435
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
SMILESC/C(=N\NC(=O)NO)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N5O2/c1-6(13-14-10(16)15-17)9-11-7-4-2-3-5-8(7)12-9/h2-5,17H,1H3,(H,11,12)(H2,14,15,16)/b13-6+
InChIKeyAMBLYIYMWRVHGB-AWNIVKPZSA-N
XLogP0.98
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide
CID 137304921
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide
CID 135768548
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-[(E)-[(1E)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
CID 135773416
N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
CID 135576795
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5391782
1H-benzimidazol-2-yl-(2-bromophenyl)methanone
CID 13260204

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea?
The IUPAC name of 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea (CID 135580435) is 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea.
What is the SMILES notation for 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea?
The canonical SMILES for 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea is C/C(=N\NC(=O)NO)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea?
The InChIKey is AMBLYIYMWRVHGB-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6(13-14-10(16)15-17)9-11-7-4-2-3-5-8(7)12-9/h2-5,17H,1H3,(H,11,12)(H2,14,15,16)/b13-6+.
What are the key properties of 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea?
1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea has a molecular weight of 233.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea is sourced from PubChem (CID 135580435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).