N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide

C18H21N3O3 — CID 56790330

IUPACN-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide
SMILESCCCC(NC(=O)C1CC1)c1ncc(-c2ccc3c(c2)OCO3)[nH]1
InChIInChI=1S/C18H21N3O3/c1-2-3-13(21-18(22)11-4-5-11)17-19-9-14(20-17)12-6-7-15-16(8-12)24-10-23-15/h6-9,11,13H,2-5,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyATWAODYYPORTIS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.17
Rot. Bonds6

About N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide

N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide (PubChem CID 56790330) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide
PubChem CID56790330
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide
SMILESCCCC(NC(=O)C1CC1)c1ncc(-c2ccc3c(c2)OCO3)[nH]1
InChIInChI=1S/C18H21N3O3/c1-2-3-13(21-18(22)11-4-5-11)17-19-9-14(20-17)12-6-7-15-16(8-12)24-10-23-15/h6-9,11,13H,2-5,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyATWAODYYPORTIS-UHFFFAOYSA-N
XLogP3.17
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]propanamide
CID 95339295
1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651339
methyl N-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]carbamate
CID 70628448
N-[(1S)-1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-7-oxooctyl]-1-methylpiperidine-4-carboxamide
CID 87332162
2-[3-[2-[1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-1H-imidazol-5-yl]phenyl]acetic acid
CID 66674691
N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-4-[cyclopropyl(methyl)amino]-4-oxobutyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 66674271
methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonylamino)propanoate
CID 40567363
N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60854851
N-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxooctyl]-1-methylpiperidine-4-carboxamide
CID 44589632
1-methyl-N-[(1S)-7-oxo-1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]octyl]piperidine-4-carboxamide
CID 44589633
methyl 4-[2-[(1S)-1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-1H-imidazol-5-yl]benzoate
CID 66674821
1-methyl-N-[(1S)-7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]pyrrolidine-3-carboxamide
CID 118453130

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide (CID 56790330) is N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide is CCCC(NC(=O)C1CC1)c1ncc(-c2ccc3c(c2)OCO3)[nH]1.
What is the InChIKey of N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide?
The InChIKey is ATWAODYYPORTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-3-13(21-18(22)11-4-5-11)17-19-9-14(20-17)12-6-7-15-16(8-12)24-10-23-15/h6-9,11,13H,2-5,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide?
N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide is sourced from PubChem (CID 56790330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).