N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide

C17H21N3O3 — CID 75433034

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCC3(CO)CC3)c(C)[nH]2)c1
InChIInChI=1S/C17H21N3O3/c1-11-14(16(22)18-9-17(10-21)6-7-17)20-15(19-11)12-4-3-5-13(8-12)23-2/h3-5,8,21H,6-7,9-10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyPYFQODCLIIPQIK-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.90
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 75433034) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID75433034
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCC3(CO)CC3)c(C)[nH]2)c1
InChIInChI=1S/C17H21N3O3/c1-11-14(16(22)18-9-17(10-21)6-7-17)20-15(19-11)12-4-3-5-13(8-12)23-2/h3-5,8,21H,6-7,9-10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyPYFQODCLIIPQIK-UHFFFAOYSA-N
XLogP1.90
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]prop-2-enoic acid
CID 82300310
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
CID 75389681
3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 71905690
(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 84592763
N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 71844097
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole
CID 67700027
[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997600
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide
CID 91954367

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 75433034) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide is COc1cccc(-c2nc(C(=O)NCC3(CO)CC3)c(C)[nH]2)c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is PYFQODCLIIPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-14(16(22)18-9-17(10-21)6-7-17)20-15(19-11)12-4-3-5-13(8-12)23-2/h3-5,8,21H,6-7,9-10H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 75433034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).