1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

C15H21N5O — CID 131951634

IUPAC1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)n1ccnc1CNC(=O)C1(Cn2ccnc2)CC1
InChIInChI=1S/C15H21N5O/c1-12(2)20-8-6-17-13(20)9-18-14(21)15(3-4-15)10-19-7-5-16-11-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyWALBBFZYXKBUQH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.76
Rot. Bonds6

About 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 131951634) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID131951634
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)n1ccnc1CNC(=O)C1(Cn2ccnc2)CC1
InChIInChI=1S/C15H21N5O/c1-12(2)20-8-6-17-13(20)9-18-14(21)15(3-4-15)10-19-7-5-16-11-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyWALBBFZYXKBUQH-UHFFFAOYSA-N
XLogP1.76
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-3-methylbutan-2-yl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 131920217
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 118775927
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
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 122562809
2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 125438130
1-(1-methyltriazol-4-yl)-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
CID 72905357
N-(3-cyclopentyloxypropyl)-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 122555851
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 91790838
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 118773762

Frequently Asked Questions

What is the IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 131951634) is 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is CC(C)n1ccnc1CNC(=O)C1(Cn2ccnc2)CC1.
What is the InChIKey of 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is WALBBFZYXKBUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12(2)20-8-6-17-13(20)9-18-14(21)15(3-4-15)10-19-7-5-16-11-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21).
What are the key properties of 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazol-1-ylmethyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 131951634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).