1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea

C15H26N4OS — CID 71971414

IUPAC1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
SMILESCCSC1CCC(N(C)C(=O)NC(C)Cn2ccnc2)C1
InChIInChI=1S/C15H26N4OS/c1-4-21-14-6-5-13(9-14)18(3)15(20)17-12(2)10-19-8-7-16-11-19/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeyYWMIZINGJUGEEI-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.59
Rot. Bonds6

About 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea

1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea (PubChem CID 71971414) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
PubChem CID71971414
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
SMILESCCSC1CCC(N(C)C(=O)NC(C)Cn2ccnc2)C1
InChIInChI=1S/C15H26N4OS/c1-4-21-14-6-5-13(9-14)18(3)15(20)17-12(2)10-19-8-7-16-11-19/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeyYWMIZINGJUGEEI-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480558
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122893
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122892
1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
CID 95133629
2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94183002
N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 119817000
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The IUPAC name of 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea (CID 71971414) is 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea.
What is the SMILES notation for 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The canonical SMILES for 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea is CCSC1CCC(N(C)C(=O)NC(C)Cn2ccnc2)C1.
What is the InChIKey of 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
The InChIKey is YWMIZINGJUGEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-21-14-6-5-13(9-14)18(3)15(20)17-12(2)10-19-8-7-16-11-19/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,17,20).
What are the key properties of 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea?
1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea has a molecular weight of 310.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylcyclopentyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea is sourced from PubChem (CID 71971414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).