2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide

C13H16N4O2 — CID 141271018

IUPAC2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide
SMILESCCc1cc(OC)ccc1NC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C13H16N4O2/c1-3-8-6-9(19-2)4-5-10(8)16-12(18)11-7-15-13(14)17-11/h4-7H,3H2,1-2H3,(H,16,18)(H3,14,15,17)
InChIKeyDJAWNDNTEVMQFZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide

2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide (PubChem CID 141271018) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide
PubChem CID141271018
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide
SMILESCCc1cc(OC)ccc1NC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C13H16N4O2/c1-3-8-6-9(19-2)4-5-10(8)16-12(18)11-7-15-13(14)17-11/h4-7H,3H2,1-2H3,(H,16,18)(H3,14,15,17)
InChIKeyDJAWNDNTEVMQFZ-UHFFFAOYSA-N
XLogP1.82
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea
CID 20543767
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N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
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CID 66119722
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224
N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide
CID 105497919
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2,4-dimethoxyphenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
CID 109198459
4-amino-N-(4-methoxy-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240718
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CID 63117294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide (CID 141271018) is 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide is CCc1cc(OC)ccc1NC(=O)c1cnc(N)[nH]1.
What is the InChIKey of 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is DJAWNDNTEVMQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-8-6-9(19-2)4-5-10(8)16-12(18)11-7-15-13(14)17-11/h4-7H,3H2,1-2H3,(H,16,18)(H3,14,15,17).
What are the key properties of 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide?
2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 141271018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).