5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide

C16H20Cl2N4O2 — CID 171984270

IUPAC5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide
SMILESCOCCCNC(=O)c1nc(C)n(Cc2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C16H20Cl2N4O2/c1-10-21-14(16(23)20-6-3-7-24-2)15(19)22(10)9-11-4-5-12(17)13(18)8-11/h4-5,8H,3,6-7,9,19H2,1-2H3,(H,20,23)
InChIKeyKGZAPRMTMSJELO-UHFFFAOYSA-N
MW371.27 g/mol
LogP2.90
Rot. Bonds7

About 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide

5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide (PubChem CID 171984270) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide
PubChem CID171984270
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide
SMILESCOCCCNC(=O)c1nc(C)n(Cc2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C16H20Cl2N4O2/c1-10-21-14(16(23)20-6-3-7-24-2)15(19)22(10)9-11-4-5-12(17)13(18)8-11/h4-5,8H,3,6-7,9,19H2,1-2H3,(H,20,23)
InChIKeyKGZAPRMTMSJELO-UHFFFAOYSA-N
XLogP2.90
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperazine-1-carbothioamide
CID 4770339
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
CID 8815252
methyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylimidazole-4-carboxylate
CID 103545352
5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687739
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 4202606
3-benzyl-N-(3-methoxypropyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide
CID 42379624
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
1-[(3,4-dichlorophenyl)methyl]-3-(3-methoxypropyl)-1,2-dimethylguanidine
CID 111306199
2-[[1-[(3,4-dichlorophenyl)methyl]-5-methyltriazole-4-carbonyl]amino]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42606445
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
2-(3-chloro-4-methylphenyl)-4-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46006003

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide (CID 171984270) is 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide is COCCCNC(=O)c1nc(C)n(Cc2ccc(Cl)c(Cl)c2)c1N.
What is the InChIKey of 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide?
The InChIKey is KGZAPRMTMSJELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O2/c1-10-21-14(16(23)20-6-3-7-24-2)15(19)22(10)9-11-4-5-12(17)13(18)8-11/h4-5,8H,3,6-7,9,19H2,1-2H3,(H,20,23).
What are the key properties of 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide?
5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide has a molecular weight of 371.27 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3,4-dichlorophenyl)methyl]-N-(3-methoxypropyl)-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 171984270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).