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

C20H21N5O2 — CID 86988041

IUPAC1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(N2CCCC2=O)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N5O2/c1-13(19-23-16-8-2-3-9-17(16)24-19)21-20(27)22-14-6-4-7-15(12-14)25-11-5-10-18(25)26/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,24)(H2,21,22,27)
InChIKeyCQGWSSQFEBYJCK-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.57
Rot. Bonds4

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

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 86988041) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID86988041
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC(NC(=O)Nc1cccc(N2CCCC2=O)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N5O2/c1-13(19-23-16-8-2-3-9-17(16)24-19)21-20(27)22-14-6-4-7-15(12-14)25-11-5-10-18(25)26/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,24)(H2,21,22,27)
InChIKeyCQGWSSQFEBYJCK-UHFFFAOYSA-N
XLogP3.57
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2906148
1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 94652870
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea
CID 122151249
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55812637
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51935441
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 116677234
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 86988041) is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is CC(NC(=O)Nc1cccc(N2CCCC2=O)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is CQGWSSQFEBYJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(19-23-16-8-2-3-9-17(16)24-19)21-20(27)22-14-6-4-7-15(12-14)25-11-5-10-18(25)26/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,23,24)(H2,21,22,27).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 363.42 g/mol, XLogP of 3.57, 4 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)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 86988041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).