1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea

C18H23N5O2 — CID 72838318

IUPAC1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC1CCC(=O)N1c1cccc(NC(=O)NCCCc2ncc[nH]2)c1
InChIInChI=1S/C18H23N5O2/c1-13-7-8-17(24)23(13)15-5-2-4-14(12-15)22-18(25)21-9-3-6-16-19-10-11-20-16/h2,4-5,10-13H,3,6-9H2,1H3,(H,19,20)(H2,21,22,25)
InChIKeyKUQHXTUGYQCZQL-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.68
Rot. Bonds6

About 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea

1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 72838318) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID72838318
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC1CCC(=O)N1c1cccc(NC(=O)NCCCc2ncc[nH]2)c1
InChIInChI=1S/C18H23N5O2/c1-13-7-8-17(24)23(13)15-5-2-4-14(12-15)22-18(25)21-9-3-6-16-19-10-11-20-16/h2,4-5,10-13H,3,6-9H2,1H3,(H,19,20)(H2,21,22,25)
InChIKeyKUQHXTUGYQCZQL-UHFFFAOYSA-N
XLogP2.68
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]urea
CID 97434234
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 118767577
1-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 125154948
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
CID 131950301
2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
CID 97455360
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 116657997
1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 74234942
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 118780034
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97455512

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea (CID 72838318) is 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea is CC1CCC(=O)N1c1cccc(NC(=O)NCCCc2ncc[nH]2)c1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is KUQHXTUGYQCZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-7-8-17(24)23(13)15-5-2-4-14(12-15)22-18(25)21-9-3-6-16-19-10-11-20-16/h2,4-5,10-13H,3,6-9H2,1H3,(H,19,20)(H2,21,22,25).
What are the key properties of 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea?
1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 341.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 72838318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).