5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

C15H15ClN4O — CID 65483753

IUPAC5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccnc(Cl)c1NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H15ClN4O/c1-8-5-6-17-14(16)13(8)18-9(2)10-3-4-11-12(7-10)20-15(21)19-11/h3-7,9,18H,1-2H3,(H2,19,20,21)
InChIKeyQBETUHVQLLTUNA-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.39
Rot. Bonds3

About 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 65483753) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID65483753
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccnc(Cl)c1NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H15ClN4O/c1-8-5-6-17-14(16)13(8)18-9(2)10-3-4-11-12(7-10)20-15(21)19-11/h3-7,9,18H,1-2H3,(H2,19,20,21)
InChIKeyQBETUHVQLLTUNA-UHFFFAOYSA-N
XLogP3.39
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 65483753) is 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccnc(Cl)c1NC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QBETUHVQLLTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-8-5-6-17-14(16)13(8)18-9(2)10-3-4-11-12(7-10)20-15(21)19-11/h3-7,9,18H,1-2H3,(H2,19,20,21).
What are the key properties of 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 302.77 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 65483753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).