3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide

C12H13N3O2 — CID 72969789

IUPAC3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide
SMILESCc1nc2cc(C=CC(=O)NO)ccc2n1C
InChIInChI=1S/C12H13N3O2/c1-8-13-10-7-9(4-6-12(16)14-17)3-5-11(10)15(8)2/h3-7,17H,1-2H3,(H,14,16)
InChIKeyYVDXRXANWFCSPY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.40
Rot. Bonds2

About 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide

3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide (PubChem CID 72969789) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide
PubChem CID72969789
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide
SMILESCc1nc2cc(C=CC(=O)NO)ccc2n1C
InChIInChI=1S/C12H13N3O2/c1-8-13-10-7-9(4-6-12(16)14-17)3-5-11(10)15(8)2/h3-7,17H,1-2H3,(H,14,16)
InChIKeyYVDXRXANWFCSPY-UHFFFAOYSA-N
XLogP1.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[1-methyl-2-(3-phenylpropyl)benzimidazol-5-yl]prop-2-enamide
CID 11186705
N-hydroxy-3-[1-methyl-2-[[(2-phenylacetyl)amino]methyl]benzimidazol-5-yl]prop-2-enamide
CID 72772160
N-hydroxy-3-[2-(2-methylpropyl)-1-[2-(propan-2-ylamino)ethyl]benzimidazol-5-yl]prop-2-enamide
CID 73231737
(E)-3-[1-[2-[bis(3,3-dimethylbutyl)amino]ethyl]-2-(2,2-dimethylpropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 57429930
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
(E)-N-hydroxy-3-[1-methyl-2-[[[(4S)-4-methylcyclohexa-1,5-dien-1-yl]methylamino]methyl]benzimidazol-5-yl]prop-2-enamide
CID 89061406
(E)-3-[2-(2,2-difluoropropyl)-1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 88934376
(E)-3-[2-[[benzyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]-1-methylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 59529003
(E)-N-hydroxy-3-[1-(3-hydroxypropyl)benzimidazol-5-yl]prop-2-enamide
CID 44564880
(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-[(Z)-3-methylsulfanylprop-2-enyl]benzimidazol-5-yl]prop-2-enamide
CID 143019451
3-[1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2,2-dimethylpropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 73231663
(E)-3-[1-[2-(dimethylamino)ethyl]-2-(2-phenylcyclopropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 53363796

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide (CID 72969789) is 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide is Cc1nc2cc(C=CC(=O)NO)ccc2n1C.
What is the InChIKey of 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide?
The InChIKey is YVDXRXANWFCSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-13-10-7-9(4-6-12(16)14-17)3-5-11(10)15(8)2/h3-7,17H,1-2H3,(H,14,16).
What are the key properties of 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide?
3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide has a molecular weight of 231.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 72969789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).