1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea

C19H20ClN5O2 — CID 53475699

IUPAC1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1N1CCCC1)Nc1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C19H20ClN5O2/c20-13-7-6-12(16(10-13)25-8-1-2-9-25)11-21-18(26)22-14-4-3-5-15-17(14)24-19(27)23-15/h3-7,10H,1-2,8-9,11H2,(H2,21,22,26)(H2,23,24,27)
InChIKeyHZDOWKSLUNQEPU-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.43
Rot. Bonds4

About 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea

1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea (PubChem CID 53475699) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea.

Molecular Properties

Compound Name1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
PubChem CID53475699
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1N1CCCC1)Nc1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C19H20ClN5O2/c20-13-7-6-12(16(10-13)25-8-1-2-9-25)11-21-18(26)22-14-4-3-5-15-17(14)24-19(27)23-15/h3-7,10H,1-2,8-9,11H2,(H2,21,22,26)(H2,23,24,27)
InChIKeyHZDOWKSLUNQEPU-UHFFFAOYSA-N
XLogP3.43
TPSA93.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea?
The IUPAC name of 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea (CID 53475699) is 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea.
What is the SMILES notation for 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea?
The canonical SMILES for 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea is O=C(NCc1ccc(Cl)cc1N1CCCC1)Nc1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea?
The InChIKey is HZDOWKSLUNQEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-13-7-6-12(16(10-13)25-8-1-2-9-25)11-21-18(26)22-14-4-3-5-15-17(14)24-19(27)23-15/h3-7,10H,1-2,8-9,11H2,(H2,21,22,26)(H2,23,24,27).
What are the key properties of 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea?
1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea has a molecular weight of 385.86 g/mol, XLogP of 3.43, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea is sourced from PubChem (CID 53475699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).