1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea

C21H24N4O — CID 138026361

IUPAC1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea
SMILESCN1CCC(CNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1
InChIInChI=1S/C21H24N4O/c1-25-12-11-15(14-25)13-22-21(26)24-20-17-9-5-6-10-18(17)23-19(20)16-7-3-2-4-8-16/h2-10,15,23H,11-14H2,1H3,(H2,22,24,26)
InChIKeyYGZHOHANNZFPGB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.91
Rot. Bonds4

About 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea

1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea (PubChem CID 138026361) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea
PubChem CID138026361
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea
SMILESCN1CCC(CNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1
InChIInChI=1S/C21H24N4O/c1-25-12-11-15(14-25)13-22-21(26)24-20-17-9-5-6-10-18(17)23-19(20)16-7-3-2-4-8-16/h2-10,15,23H,11-14H2,1H3,(H2,22,24,26)
InChIKeyYGZHOHANNZFPGB-UHFFFAOYSA-N
XLogP3.91
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methylpyrrolidin-3-yl)methyl]-2-phenyl-1H-indole;oxalic acid
CID 18403268
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95326935
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 56786848
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 71879951
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 95194960
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea?
The IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea (CID 138026361) is 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea.
What is the SMILES notation for 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea?
The canonical SMILES for 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea is CN1CCC(CNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1.
What is the InChIKey of 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea?
The InChIKey is YGZHOHANNZFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25-12-11-15(14-25)13-22-21(26)24-20-17-9-5-6-10-18(17)23-19(20)16-7-3-2-4-8-16/h2-10,15,23H,11-14H2,1H3,(H2,22,24,26).
What are the key properties of 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea?
1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea has a molecular weight of 348.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea is sourced from PubChem (CID 138026361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).