cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide

C19H23N3O3 — CID 95334194

IUPACcis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C19H23N3O3/c1-11(2)22(19(23)14-6-12(14)3)9-18-20-8-15(21-18)13-4-5-16-17(7-13)25-10-24-16/h4-5,7-8,11-12,14H,6,9-10H2,1-3H3,(H,20,21)/t12-,14+/m0/s1
InChIKeySVIKGAWUTRMQDZ-GXTWGEPZSA-N
MW341.41 g/mol
LogP3.20
Rot. Bonds5

About cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 95334194) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID95334194
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namecis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C19H23N3O3/c1-11(2)22(19(23)14-6-12(14)3)9-18-20-8-15(21-18)13-4-5-16-17(7-13)25-10-24-16/h4-5,7-8,11-12,14H,6,9-10H2,1-3H3,(H,20,21)/t12-,14+/m0/s1
InChIKeySVIKGAWUTRMQDZ-GXTWGEPZSA-N
XLogP3.20
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60854851
3-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880138
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
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
N-[(1R)-1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]propanamide
CID 95339295
N-[(E)-5-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]pent-2-en-3-yl]-2-methylbenzamide
CID 163980995
N-[1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]butyl]cyclopropanecarboxamide
CID 56790330
2,5-bis(1,3-benzodioxol-5-yl)-1H-imidazole;molecular hydrogen
CID 143969673
1-(1,3-benzodioxol-5-yl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
CID 86867482
5-(1,3-benzodioxol-5-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214973
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 27736341

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 95334194) is cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is SVIKGAWUTRMQDZ-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11(2)22(19(23)14-6-12(14)3)9-18-20-8-15(21-18)13-4-5-16-17(7-13)25-10-24-16/h4-5,7-8,11-12,14H,6,9-10H2,1-3H3,(H,20,21)/t12-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 95334194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).