N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

C13H21N3O2 — CID 131920217

IUPACN-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(Cn2ccnc2)CC1)C(C)(C)O
InChIInChI=1S/C13H21N3O2/c1-10(12(2,3)18)15-11(17)13(4-5-13)8-16-7-6-14-9-16/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyJZSAKUBMNBFKSL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.94
Rot. Bonds5

About N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 131920217) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID131920217
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(Cn2ccnc2)CC1)C(C)(C)O
InChIInChI=1S/C13H21N3O2/c1-10(12(2,3)18)15-11(17)13(4-5-13)8-16-7-6-14-9-16/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyJZSAKUBMNBFKSL-UHFFFAOYSA-N
XLogP0.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 131951634
1-(imidazol-1-ylmethyl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 125443628
1-(imidazol-1-ylmethyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 125447141
1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide
CID 125173289
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 91765223
N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 122555851
N-[(3S,4R)-1-cyclopentyl-4-propylpyrrolidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 133124489
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
N-(1-imidazol-1-ylpropan-2-yl)-4-methoxypiperidine-4-carboxamide
CID 119856882
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 131920217) is N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(Cn2ccnc2)CC1)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is JZSAKUBMNBFKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(12(2,3)18)15-11(17)13(4-5-13)8-16-7-6-14-9-16/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131920217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).