N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide

C12H19N3O2 — CID 104957006

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H19N3O2/c16-11-4-2-1-3-10(11)14-12(17)5-7-15-8-6-13-9-15/h6,8-11,16H,1-5,7H2,(H,14,17)/t10-,11-/m0/s1
InChIKeyPHBWIYRRZURHGI-QWRGUYRKSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds4

About N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide

N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide (PubChem CID 104957006) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide
PubChem CID104957006
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H19N3O2/c16-11-4-2-1-3-10(11)14-12(17)5-7-15-8-6-13-9-15/h6,8-11,16H,1-5,7H2,(H,14,17)/t10-,11-/m0/s1
InChIKeyPHBWIYRRZURHGI-QWRGUYRKSA-N
XLogP0.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide (CID 104957006) is N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide?
The InChIKey is PHBWIYRRZURHGI-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-4-2-1-3-10(11)14-12(17)5-7-15-8-6-13-9-15/h6,8-11,16H,1-5,7H2,(H,14,17)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 104957006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).