N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide

C18H21N5O2 — CID 56723134

IUPACN-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-n2ccnc2-c2nccn2C)cc1OC
InChIInChI=1S/C18H21N5O2/c1-4-5-16(24)21-14-7-6-13(12-15(14)25-3)23-11-9-20-18(23)17-19-8-10-22(17)2/h6-12H,4-5H2,1-3H3,(H,21,24)
InChIKeyVQACLHFLLDQIPI-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.02
Rot. Bonds6

About N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide

N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide (PubChem CID 56723134) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide
PubChem CID56723134
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-n2ccnc2-c2nccn2C)cc1OC
InChIInChI=1S/C18H21N5O2/c1-4-5-16(24)21-14-7-6-13(12-15(14)25-3)23-11-9-20-18(23)17-19-8-10-22(17)2/h6-12H,4-5H2,1-3H3,(H,21,24)
InChIKeyVQACLHFLLDQIPI-UHFFFAOYSA-N
XLogP3.02
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-isocyanato-2-methoxyphenyl)butanamide
CID 169353525
N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16792339
N-(2-methoxyphenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295642
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 18579425
N-(6-methoxy-2-methylindazol-5-yl)butanamide
CID 177040476
3-chloro-N-[4-[4-(3-chloropropanoylamino)-3-methoxyphenyl]-2-methoxyphenyl]propanamide
CID 4135027
(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 25350659
4,4,4-trifluoro-N-(4-fluoro-2-methoxyphenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55588733
N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25067024
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide?
The IUPAC name of N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide (CID 56723134) is N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide.
What is the SMILES notation for N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide?
The canonical SMILES for N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(-n2ccnc2-c2nccn2C)cc1OC.
What is the InChIKey of N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide?
The InChIKey is VQACLHFLLDQIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-5-16(24)21-14-7-6-13(12-15(14)25-3)23-11-9-20-18(23)17-19-8-10-22(17)2/h6-12H,4-5H2,1-3H3,(H,21,24).
What are the key properties of N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide?
N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide has a molecular weight of 339.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide is sourced from PubChem (CID 56723134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).