1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

C24H29N5O2 — CID 78888243

IUPAC1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
SMILESCC(C)C(NC(=O)NCc1cccc(CN2CCCC2=O)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H29N5O2/c1-16(2)22(23-26-19-9-3-4-10-20(19)27-23)28-24(31)25-14-17-7-5-8-18(13-17)15-29-12-6-11-21(29)30/h3-5,7-10,13,16,22H,6,11-12,14-15H2,1-2H3,(H,26,27)(H2,25,28,31)
InChIKeyIPQWLPFUICYRNO-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.88
Rot. Bonds7

About 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 78888243) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
PubChem CID78888243
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
SMILESCC(C)C(NC(=O)NCc1cccc(CN2CCCC2=O)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H29N5O2/c1-16(2)22(23-26-19-9-3-4-10-20(19)27-23)28-24(31)25-14-17-7-5-8-18(13-17)15-29-12-6-11-21(29)30/h3-5,7-10,13,16,22H,6,11-12,14-15H2,1-2H3,(H,26,27)(H2,25,28,31)
InChIKeyIPQWLPFUICYRNO-UHFFFAOYSA-N
XLogP3.88
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 78888129
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]urea
CID 112831749
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 86880052
2-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126304
3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide
CID 78868539
1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825436
1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 78890483
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 60583834
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78870413
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86988041
7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 112841648

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (CID 78888243) is 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is CC(C)C(NC(=O)NCc1cccc(CN2CCCC2=O)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is IPQWLPFUICYRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16(2)22(23-26-19-9-3-4-10-20(19)27-23)28-24(31)25-14-17-7-5-8-18(13-17)15-29-12-6-11-21(29)30/h3-5,7-10,13,16,22H,6,11-12,14-15H2,1-2H3,(H,26,27)(H2,25,28,31).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 419.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 78888243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).