N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide

C13H23N3O2 — CID 164634011

IUPACN-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide
SMILESC[C@@H](CCCC(C)(C)O)NC(=O)c1nccn1C
InChIInChI=1S/C13H23N3O2/c1-10(6-5-7-13(2,3)18)15-12(17)11-14-8-9-16(11)4/h8-10,18H,5-7H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyNJNDAYXQEFAWIQ-JTQLQIEISA-N
MW253.35 g/mol
LogP1.48
Rot. Bonds6

About N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide

N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide (PubChem CID 164634011) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide
PubChem CID164634011
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide
SMILESC[C@@H](CCCC(C)(C)O)NC(=O)c1nccn1C
InChIInChI=1S/C13H23N3O2/c1-10(6-5-7-13(2,3)18)15-12(17)11-14-8-9-16(11)4/h8-10,18H,5-7H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyNJNDAYXQEFAWIQ-JTQLQIEISA-N
XLogP1.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide
CID 58012738
5-amino-1-(1-methylimidazol-2-yl)hexan-1-one
CID 116610020
1-methyl-N-propylimidazole-2-carboxamide
CID 12006368
N-(2-ethylbutyl)-1-methylimidazole-2-carboxamide
CID 115646653
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280
N-hexyl-1-methylimidazole-2-carboxamide
CID 162400455
2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
CID 79616410
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide
CID 101260235
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1-methylimidazole-2-carboxamide
CID 71989210
1-methyl-N-[1-(5-methyl-2-pyridinyl)propyl]imidazole-2-carboxamide
CID 118763338
1-(1-methylimidazol-2-yl)-2-propan-2-ylsulfanylethanone
CID 65134336

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide (CID 164634011) is N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide is C[C@@H](CCCC(C)(C)O)NC(=O)c1nccn1C.
What is the InChIKey of N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is NJNDAYXQEFAWIQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(6-5-7-13(2,3)18)15-12(17)11-14-8-9-16(11)4/h8-10,18H,5-7H2,1-4H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide?
N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 164634011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).