2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride

C19H22ClN5O2 — CID 155511614

IUPAC2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCCO
InChIInChI=1S/C19H21N5O2.ClH/c20-19(21)15-7-6-14(10-17(15)26-9-8-25)22-12-18-23-11-16(24-18)13-4-2-1-3-5-13;/h1-7,10-11,22,25H,8-9,12H2,(H3,20,21)(H,23,24);1H
InChIKeyDKWFBFSXKNVIHG-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.77
Rot. Bonds8

About 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride

2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride (PubChem CID 155511614) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride
PubChem CID155511614
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCCO
InChIInChI=1S/C19H21N5O2.ClH/c20-19(21)15-7-6-14(10-17(15)26-9-8-25)22-12-18-23-11-16(24-18)13-4-2-1-3-5-13;/h1-7,10-11,22,25H,8-9,12H2,(H3,20,21)(H,23,24);1H
InChIKeyDKWFBFSXKNVIHG-UHFFFAOYSA-N
XLogP2.77
TPSA120.04 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 12024852
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CID 155908682
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CID 12878477
CID 12878477
CID 12878481
CID 12878481
CID 44565738
CID 44565738
CID 44565739
CID 44565739
CID 11275964
CID 11275964
CID 13621656
CID 13621656
CID 18673160
CID 18673160
CID 138115400
CID 138115400
CID 13621597
CID 13621597
CID 13621653
CID 13621653

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride?
The IUPAC name of 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride (CID 155511614) is 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride?
The InChIKey is DKWFBFSXKNVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.ClH/c20-19(21)15-7-6-14(10-17(15)26-9-8-25)22-12-18-23-11-16(24-18)13-4-2-1-3-5-13;/h1-7,10-11,22,25H,8-9,12H2,(H3,20,21)(H,23,24);1H.
What are the key properties of 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride?
2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 2.77, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 155511614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).