4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one

C20H20N4O — CID 155258244

IUPAC4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(C3CCN(Cc4c[nH]c5ccccc45)C3)c2[nH]1
InChIInChI=1S/C20H20N4O/c25-20-22-18-7-3-5-16(19(18)23-20)13-8-9-24(11-13)12-14-10-21-17-6-2-1-4-15(14)17/h1-7,10,13,21H,8-9,11-12H2,(H2,22,23,25)
InChIKeyXDBDQKHPTOXENY-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.33
Rot. Bonds3

About 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one

4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 155258244) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID155258244
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(C3CCN(Cc4c[nH]c5ccccc45)C3)c2[nH]1
InChIInChI=1S/C20H20N4O/c25-20-22-18-7-3-5-16(19(18)23-20)13-8-9-24(11-13)12-14-10-21-17-6-2-1-4-15(14)17/h1-7,10,13,21H,8-9,11-12H2,(H2,22,23,25)
InChIKeyXDBDQKHPTOXENY-UHFFFAOYSA-N
XLogP3.33
TPSA67.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
CID 124970706
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
CID 155258071
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenethiol
CID 155258161
N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide
CID 155258130
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620
2-(furan-2-yl)-5-[(3S)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137269
2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine
CID 45209393
2-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 75615332
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one (CID 155258244) is 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cccc(C3CCN(Cc4c[nH]c5ccccc45)C3)c2[nH]1.
What is the InChIKey of 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XDBDQKHPTOXENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20-22-18-7-3-5-16(19(18)23-20)13-8-9-24(11-13)12-14-10-21-17-6-2-1-4-15(14)17/h1-7,10,13,21H,8-9,11-12H2,(H2,22,23,25).
What are the key properties of 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one?
4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 332.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155258244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).