2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride

C12H19ClN4O4 — CID 13458499

IUPAC2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride
SMILESCOc1ccc(NC(=O)N2CCN=C2N)cc1OC.Cl.O
InChIInChI=1S/C12H16N4O3.ClH.H2O/c1-18-9-4-3-8(7-10(9)19-2)15-12(17)16-6-5-14-11(16)13;;/h3-4,7H,5-6H2,1-2H3,(H2,13,14)(H,15,17);1H;1H2
InChIKeyNGVGWBYQFJGDLV-UHFFFAOYSA-N
MW318.76 g/mol
LogP0.46
Rot. Bonds3

About 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride

2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride (PubChem CID 13458499) has the molecular formula C12H19ClN4O4 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride
PubChem CID13458499
Molecular FormulaC12H19ClN4O4
Molecular Weight318.76 g/mol
Exact Mass318.11
IUPAC Name2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride
SMILESCOc1ccc(NC(=O)N2CCN=C2N)cc1OC.Cl.O
InChIInChI=1S/C12H16N4O3.ClH.H2O/c1-18-9-4-3-8(7-10(9)19-2)15-12(17)16-6-5-14-11(16)13;;/h3-4,7H,5-6H2,1-2H3,(H2,13,14)(H,15,17);1H;1H2
InChIKeyNGVGWBYQFJGDLV-UHFFFAOYSA-N
XLogP0.46
TPSA120.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521575
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521456
4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346010
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 77230279
N-(3,4-dimethoxyphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071786

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride?
The IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride (CID 13458499) is 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride?
The canonical SMILES for 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride is COc1ccc(NC(=O)N2CCN=C2N)cc1OC.Cl.O.
What is the InChIKey of 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride?
The InChIKey is NGVGWBYQFJGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3.ClH.H2O/c1-18-9-4-3-8(7-10(9)19-2)15-12(17)16-6-5-14-11(16)13;;/h3-4,7H,5-6H2,1-2H3,(H2,13,14)(H,15,17);1H;1H2.
What are the key properties of 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride?
2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride has a molecular weight of 318.76 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride is sourced from PubChem (CID 13458499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).