2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide

C12H15N5O — CID 82067577

IUPAC2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(C2CC2)nc2c(N)cccc21
InChIInChI=1S/C12H15N5O/c13-8-2-1-3-9-11(8)15-12(7-4-5-7)17(9)6-10(18)16-14/h1-3,7H,4-6,13-14H2,(H,16,18)
InChIKeyXFSFALXXZZECAU-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.49
Rot. Bonds3

About 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide

2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide (PubChem CID 82067577) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
PubChem CID82067577
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(C2CC2)nc2c(N)cccc21
InChIInChI=1S/C12H15N5O/c13-8-2-1-3-9-11(8)15-12(7-4-5-7)17(9)6-10(18)16-14/h1-3,7H,4-6,13-14H2,(H,16,18)
InChIKeyXFSFALXXZZECAU-UHFFFAOYSA-N
XLogP0.49
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 82067581
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484
2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
CID 82067737
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067742
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
CID 82067623
2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
CID 82067653
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide (CID 82067577) is 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide is NNC(=O)Cn1c(C2CC2)nc2c(N)cccc21.
What is the InChIKey of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide?
The InChIKey is XFSFALXXZZECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-8-2-1-3-9-11(8)15-12(7-4-5-7)17(9)6-10(18)16-14/h1-3,7H,4-6,13-14H2,(H,16,18).
What are the key properties of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide?
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide has a molecular weight of 245.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 82067577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).