[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine

C14H17ClN4O — CID 105258101

IUPAC[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
SMILESCn1ccnc1C(Cc1cc(Cl)cc2c1OCC2)NN
InChIInChI=1S/C14H17ClN4O/c1-19-4-3-17-14(19)12(18-16)8-10-7-11(15)6-9-2-5-20-13(9)10/h3-4,6-7,12,18H,2,5,8,16H2,1H3
InChIKeyMXGCEFSCHDZOSN-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.76
Rot. Bonds4

About [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine

[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine (PubChem CID 105258101) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
PubChem CID105258101
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
SMILESCn1ccnc1C(Cc1cc(Cl)cc2c1OCC2)NN
InChIInChI=1S/C14H17ClN4O/c1-19-4-3-17-14(19)12(18-16)8-10-7-11(15)6-9-2-5-20-13(9)10/h3-4,6-7,12,18H,2,5,8,16H2,1H3
InChIKeyMXGCEFSCHDZOSN-UHFFFAOYSA-N
XLogP1.76
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215670
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831346
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444356
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 105178427
[2-(5-bromothiophen-2-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258015
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105332467
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-ethylcyclopentyl)ethyl]hydrazine
CID 105332432
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244044
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258240
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214201

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine (CID 105258101) is [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine is Cn1ccnc1C(Cc1cc(Cl)cc2c1OCC2)NN.
What is the InChIKey of [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine?
The InChIKey is MXGCEFSCHDZOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-19-4-3-17-14(19)12(18-16)8-10-7-11(15)6-9-2-5-20-13(9)10/h3-4,6-7,12,18H,2,5,8,16H2,1H3.
What are the key properties of [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine?
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine has a molecular weight of 292.77 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105258101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).