3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one

C18H14Cl2N4O — CID 130447905

IUPAC3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(Cc2ccc(Cl)cc2Cl)cn1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C18H14Cl2N4O/c19-12-6-5-11(14(20)8-12)7-13-9-24(18(25)21-13)10-17-22-15-3-1-2-4-16(15)23-17/h1-6,8-9H,7,10H2,(H,21,25)(H,22,23)
InChIKeyZHAMKWDXQMODPF-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.00
Rot. Bonds4

About 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one

3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one (PubChem CID 130447905) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one
PubChem CID130447905
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(Cc2ccc(Cl)cc2Cl)cn1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C18H14Cl2N4O/c19-12-6-5-11(14(20)8-12)7-13-9-24(18(25)21-13)10-17-22-15-3-1-2-4-16(15)23-17/h1-6,8-9H,7,10H2,(H,21,25)(H,22,23)
InChIKeyZHAMKWDXQMODPF-UHFFFAOYSA-N
XLogP4.00
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one (CID 130447905) is 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one is O=c1[nH]c(Cc2ccc(Cl)cc2Cl)cn1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one?
The InChIKey is ZHAMKWDXQMODPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-12-6-5-11(14(20)8-12)7-13-9-24(18(25)21-13)10-17-22-15-3-1-2-4-16(15)23-17/h1-6,8-9H,7,10H2,(H,21,25)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one?
3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one has a molecular weight of 373.24 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-5-[(2,4-dichlorophenyl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 130447905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).