3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

C15H26N4O — CID 125447310

IUPAC3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCc1cnc(CN(C)C(=O)N[C@@H](C)C2CCCCC2)[nH]1
InChIInChI=1S/C15H26N4O/c1-11-9-16-14(17-11)10-19(3)15(20)18-12(2)13-7-5-4-6-8-13/h9,12-13H,4-8,10H2,1-3H3,(H,16,17)(H,18,20)/t12-/m0/s1
InChIKeyBTHKTQFIGSQKSK-LBPRGKRZSA-N
MW278.40 g/mol
LogP2.83
Rot. Bonds4

About 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (PubChem CID 125447310) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
PubChem CID125447310
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCc1cnc(CN(C)C(=O)N[C@@H](C)C2CCCCC2)[nH]1
InChIInChI=1S/C15H26N4O/c1-11-9-16-14(17-11)10-19(3)15(20)18-12(2)13-7-5-4-6-8-13/h9,12-13H,4-8,10H2,1-3H3,(H,16,17)(H,18,20)/t12-/m0/s1
InChIKeyBTHKTQFIGSQKSK-LBPRGKRZSA-N
XLogP2.83
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The IUPAC name of 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (CID 125447310) is 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The canonical SMILES for 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is Cc1cnc(CN(C)C(=O)N[C@@H](C)C2CCCCC2)[nH]1.
What is the InChIKey of 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The InChIKey is BTHKTQFIGSQKSK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-9-16-14(17-11)10-19(3)15(20)18-12(2)13-7-5-4-6-8-13/h9,12-13H,4-8,10H2,1-3H3,(H,16,17)(H,18,20)/t12-/m0/s1.
What are the key properties of 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is sourced from PubChem (CID 125447310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).