3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea

C19H27ClN4O3 — CID 3495066

IUPAC3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea
SMILESCC(C)N(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27ClN4O3/c1-13(2)23(18(27)21-19(3,4)5)11-16(25)22-10-17(26)24(12-22)15-8-6-14(20)7-9-15/h6-9,13H,10-12H2,1-5H3,(H,21,27)
InChIKeyMMMZOEVQVJLFIF-UHFFFAOYSA-N
MW394.90 g/mol
LogP2.69
Rot. Bonds4

About 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea

3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea (PubChem CID 3495066) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea
PubChem CID3495066
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC Name3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea
SMILESCC(C)N(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C19H27ClN4O3/c1-13(2)23(18(27)21-19(3,4)5)11-16(25)22-10-17(26)24(12-22)15-8-6-14(20)7-9-15/h6-9,13H,10-12H2,1-5H3,(H,21,27)
InChIKeyMMMZOEVQVJLFIF-UHFFFAOYSA-N
XLogP2.69
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-ethyl-2,2-dimethylpropanamide
CID 4115941
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 5145817
N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 4612458
N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4168610
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 4190375
4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4317229
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42770524
N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 3434054
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-4-ethylbenzamide
CID 4528509
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 3638094
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)propanamide
CID 4307510
2-methoxy-N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 42770015

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea?
The IUPAC name of 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea (CID 3495066) is 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea?
The canonical SMILES for 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea is CC(C)N(CC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea?
The InChIKey is MMMZOEVQVJLFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O3/c1-13(2)23(18(27)21-19(3,4)5)11-16(25)22-10-17(26)24(12-22)15-8-6-14(20)7-9-15/h6-9,13H,10-12H2,1-5H3,(H,21,27).
What are the key properties of 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea?
3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea has a molecular weight of 394.90 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea is sourced from PubChem (CID 3495066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).