5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one

C20H24N4O — CID 166251739

IUPAC5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C20H24N4O/c1-14(16-5-4-6-17(12-16)24-9-2-3-10-24)21-13-15-7-8-18-19(11-15)23-20(25)22-18/h4-8,11-12,14,21H,2-3,9-10,13H2,1H3,(H2,22,23,25)
InChIKeyKJQGTIXPOISUBK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.31
Rot. Bonds5

About 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 166251739) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID166251739
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C20H24N4O/c1-14(16-5-4-6-17(12-16)24-9-2-3-10-24)21-13-15-7-8-18-19(11-15)23-20(25)22-18/h4-8,11-12,14,21H,2-3,9-10,13H2,1H3,(H2,22,23,25)
InChIKeyKJQGTIXPOISUBK-UHFFFAOYSA-N
XLogP3.31
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide
CID 84598284
5-[1-[(1-ethylpyrrol-3-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 66416326
N-[(4-cyclopropylphenyl)methyl]-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
CID 126827114
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
1-[(4-cyanophenyl)methyl]-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050725
1-[(4-cyanophenyl)methyl]-3-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050726
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 65295071
2-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110405118
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548
N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 97053477

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 166251739) is 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one is CC(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(N2CCCC2)c1.
What is the InChIKey of 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KJQGTIXPOISUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14(16-5-4-6-17(12-16)24-9-2-3-10-24)21-13-15-7-8-18-19(11-15)23-20(25)22-18/h4-8,11-12,14,21H,2-3,9-10,13H2,1H3,(H2,22,23,25).
What are the key properties of 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 166251739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).