5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide

C19H19N5O4 — CID 25030683

IUPAC5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(Cn2cnc(O)c2C(N)=O)cc1
InChIInChI=1S/C19H19N5O4/c1-28-15-5-3-2-4-14(15)23-19(27)22-13-8-6-12(7-9-13)10-24-11-21-18(26)16(24)17(20)25/h2-9,11,26H,10H2,1H3,(H2,20,25)(H2,22,23,27)
InChIKeyDKOPDBGEBMOPNF-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.39
Rot. Bonds6

About 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide

5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide (PubChem CID 25030683) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide
PubChem CID25030683
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(Cn2cnc(O)c2C(N)=O)cc1
InChIInChI=1S/C19H19N5O4/c1-28-15-5-3-2-4-14(15)23-19(27)22-13-8-6-12(7-9-13)10-24-11-21-18(26)16(24)17(20)25/h2-9,11,26H,10H2,1H3,(H2,20,25)(H2,22,23,27)
InChIKeyDKOPDBGEBMOPNF-UHFFFAOYSA-N
XLogP2.39
TPSA131.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
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1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
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1-[(4-methoxyphenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517680
1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
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1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2544645
2-(4-acetamidophenyl)-N-(2-methoxyphenyl)acetamide
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1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
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ethane;(2-methoxyphenyl)urea
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1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
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4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide
CID 78893033

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide (CID 25030683) is 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide is COc1ccccc1NC(=O)Nc1ccc(Cn2cnc(O)c2C(N)=O)cc1.
What is the InChIKey of 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is DKOPDBGEBMOPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-28-15-5-3-2-4-14(15)23-19(27)22-13-8-6-12(7-9-13)10-24-11-21-18(26)16(24)17(20)25/h2-9,11,26H,10H2,1H3,(H2,20,25)(H2,22,23,27).
What are the key properties of 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide?
5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[[4-[(2-methoxyphenyl)carbamoylamino]phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 25030683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).