N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide

C12H21N3O — CID 102908387

IUPACN-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
SMILESCC(C)C(CNC(=O)n1ccnc1)C(C)C
InChIInChI=1S/C12H21N3O/c1-9(2)11(10(3)4)7-14-12(16)15-6-5-13-8-15/h5-6,8-11H,7H2,1-4H3,(H,14,16)
InChIKeyURNNDERCGFAHLL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds4

About N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide (PubChem CID 102908387) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
PubChem CID102908387
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
SMILESCC(C)C(CNC(=O)n1ccnc1)C(C)C
InChIInChI=1S/C12H21N3O/c1-9(2)11(10(3)4)7-14-12(16)15-6-5-13-8-15/h5-6,8-11H,7H2,1-4H3,(H,14,16)
InChIKeyURNNDERCGFAHLL-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diethoxyethyl)imidazole-1-carboxamide
CID 81269425
N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202
N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
CID 39871151
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693
N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
CID 106037947
N-ethoxyimidazole-1-carboxamide
CID 71385822
N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
CID 63295768
N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
CID 126980828
N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
CID 43546302
imidazole-1-carboxamide;propan-2-ol
CID 121360857
N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
CID 81269387

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide (CID 102908387) is N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide is CC(C)C(CNC(=O)n1ccnc1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide?
The InChIKey is URNNDERCGFAHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)11(10(3)4)7-14-12(16)15-6-5-13-8-15/h5-6,8-11H,7H2,1-4H3,(H,14,16).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide is sourced from PubChem (CID 102908387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).