N-[(2S)-butan-2-yl]imidazole-1-carboxamide

C8H13N3O — CID 39871202

IUPACN-[(2S)-butan-2-yl]imidazole-1-carboxamide
SMILESCC[C@H](C)NC(=O)n1ccnc1
InChIInChI=1S/C8H13N3O/c1-3-7(2)10-8(12)11-5-4-9-6-11/h4-7H,3H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKeyGOFWVPSSZBHFKW-ZETCQYMHSA-N
MW167.21 g/mol
LogP1.24
Rot. Bonds2

About N-[(2S)-butan-2-yl]imidazole-1-carboxamide

N-[(2S)-butan-2-yl]imidazole-1-carboxamide (PubChem CID 39871202) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]imidazole-1-carboxamide
PubChem CID39871202
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(2S)-butan-2-yl]imidazole-1-carboxamide
SMILESCC[C@H](C)NC(=O)n1ccnc1
InChIInChI=1S/C8H13N3O/c1-3-7(2)10-8(12)11-5-4-9-6-11/h4-7H,3H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKeyGOFWVPSSZBHFKW-ZETCQYMHSA-N
XLogP1.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide
CID 54965407
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide
CID 81256957
N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
CID 126980828
N-ethoxyimidazole-1-carboxamide
CID 71385822
N-(1-thiophen-3-ylpropan-2-yl)imidazole-1-carboxamide
CID 61477612
3-(imidazole-1-carbonylamino)-2-methylidenebutanoic acid
CID 175030906
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide
CID 81270154
imidazole-1-carboxamide;propan-2-ol
CID 121360857
N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide
CID 81257953
N-(2,2-diethoxyethyl)imidazole-1-carboxamide
CID 81269425
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]imidazole-1-carboxamide (CID 39871202) is N-[(2S)-butan-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]imidazole-1-carboxamide is CC[C@H](C)NC(=O)n1ccnc1.
What is the InChIKey of N-[(2S)-butan-2-yl]imidazole-1-carboxamide?
The InChIKey is GOFWVPSSZBHFKW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-7(2)10-8(12)11-5-4-9-6-11/h4-7H,3H2,1-2H3,(H,10,12)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]imidazole-1-carboxamide?
N-[(2S)-butan-2-yl]imidazole-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 39871202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).