cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate

C23H34N4O2 — CID 67214395

IUPACcyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
SMILESCCN(CC)c1ccc(-c2cnc(CCNC(=O)OCC3CCCCC3)[nH]2)cc1
InChIInChI=1S/C23H34N4O2/c1-3-27(4-2)20-12-10-19(11-13-20)21-16-25-22(26-21)14-15-24-23(28)29-17-18-8-6-5-7-9-18/h10-13,16,18H,3-9,14-15,17H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyOCILATMUKIZSBM-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.77
Rot. Bonds9

About cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate

cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate (PubChem CID 67214395) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
PubChem CID67214395
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Namecyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
SMILESCCN(CC)c1ccc(-c2cnc(CCNC(=O)OCC3CCCCC3)[nH]2)cc1
InChIInChI=1S/C23H34N4O2/c1-3-27(4-2)20-12-10-19(11-13-20)21-16-25-22(26-21)14-15-24-23(28)29-17-18-8-6-5-7-9-18/h10-13,16,18H,3-9,14-15,17H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyOCILATMUKIZSBM-UHFFFAOYSA-N
XLogP4.77
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate?
The IUPAC name of cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate (CID 67214395) is cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate?
The canonical SMILES for cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate is CCN(CC)c1ccc(-c2cnc(CCNC(=O)OCC3CCCCC3)[nH]2)cc1.
What is the InChIKey of cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate?
The InChIKey is OCILATMUKIZSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-3-27(4-2)20-12-10-19(11-13-20)21-16-25-22(26-21)14-15-24-23(28)29-17-18-8-6-5-7-9-18/h10-13,16,18H,3-9,14-15,17H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate?
cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate has a molecular weight of 398.55 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 67214395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).