1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea

C16H15ClN4O — CID 41482613

IUPAC1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
SMILESC[C@H](NC(=O)Nn1cnc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O/c1-11(12-5-4-6-13(17)9-12)19-16(22)20-21-10-18-14-7-2-3-8-15(14)21/h2-11H,1H3,(H2,19,20,22)/t11-/m0/s1
InChIKeyOUOATEUQKXIWEC-NSHDSACASA-N
MW314.78 g/mol
LogP3.70
Rot. Bonds3

About 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea

1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea (PubChem CID 41482613) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
PubChem CID41482613
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
SMILESC[C@H](NC(=O)Nn1cnc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O/c1-11(12-5-4-6-13(17)9-12)19-16(22)20-21-10-18-14-7-2-3-8-15(14)21/h2-11H,1H3,(H2,19,20,22)/t11-/m0/s1
InChIKeyOUOATEUQKXIWEC-NSHDSACASA-N
XLogP3.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea (CID 41482613) is 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea is C[C@H](NC(=O)Nn1cnc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea?
The InChIKey is OUOATEUQKXIWEC-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-11(12-5-4-6-13(17)9-12)19-16(22)20-21-10-18-14-7-2-3-8-15(14)21/h2-11H,1H3,(H2,19,20,22)/t11-/m0/s1.
What are the key properties of 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea?
1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea has a molecular weight of 314.78 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea is sourced from PubChem (CID 41482613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).