1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride

C15H20Cl2N4O2 — CID 119858947

IUPAC1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1COc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C15H18N4O2.2ClH/c1-19-9-8-17-13(19)10-21-12-4-2-11(3-5-12)18-14(20)15(16)6-7-15;;/h2-5,8-9H,6-7,10,16H2,1H3,(H,18,20);2*1H
InChIKeyNUFMDUGTXBLWME-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.27
Rot. Bonds5

About 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119858947) has the molecular formula C15H20Cl2N4O2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119858947
Molecular FormulaC15H20Cl2N4O2
Molecular Weight359.26 g/mol
Exact Mass358.10
IUPAC Name1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1COc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C15H18N4O2.2ClH/c1-19-9-8-17-13(19)10-21-12-4-2-11(3-5-12)18-14(20)15(16)6-7-15;;/h2-5,8-9H,6-7,10,16H2,1H3,(H,18,20);2*1H
InChIKeyNUFMDUGTXBLWME-UHFFFAOYSA-N
XLogP2.27
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
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1-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]cyclopropane-1-carboxamide;hydrochloride
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methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
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2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
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4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
(3R)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,1-dioxothiolane-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119858947) is 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.Cn1ccnc1COc1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is NUFMDUGTXBLWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.2ClH/c1-19-9-8-17-13(19)10-21-12-4-2-11(3-5-12)18-14(20)15(16)6-7-15;;/h2-5,8-9H,6-7,10,16H2,1H3,(H,18,20);2*1H.
What are the key properties of 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119858947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).