4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide

C17H24N4O2 — CID 120564384

IUPAC4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCOc1ccc(C(NC(=O)CCC(C)N)c2nccn2C)cc1
InChIInChI=1S/C17H24N4O2/c1-12(18)4-9-15(22)20-16(17-19-10-11-21(17)2)13-5-7-14(23-3)8-6-13/h5-8,10-12,16H,4,9,18H2,1-3H3,(H,20,22)
InChIKeyVXBCLHIRVQVDNZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.76
Rot. Bonds7

About 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide

4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide (PubChem CID 120564384) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
PubChem CID120564384
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCOc1ccc(C(NC(=O)CCC(C)N)c2nccn2C)cc1
InChIInChI=1S/C17H24N4O2/c1-12(18)4-9-15(22)20-16(17-19-10-11-21(17)2)13-5-7-14(23-3)8-6-13/h5-8,10-12,16H,4,9,18H2,1-3H3,(H,20,22)
InChIKeyVXBCLHIRVQVDNZ-UHFFFAOYSA-N
XLogP1.76
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564382
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
4-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 134024637
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 24535483
3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide (CID 120564384) is 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide is COc1ccc(C(NC(=O)CCC(C)N)c2nccn2C)cc1.
What is the InChIKey of 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide?
The InChIKey is VXBCLHIRVQVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(18)4-9-15(22)20-16(17-19-10-11-21(17)2)13-5-7-14(23-3)8-6-13/h5-8,10-12,16H,4,9,18H2,1-3H3,(H,20,22).
What are the key properties of 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide?
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide has a molecular weight of 316.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 120564384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).