5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one

C18H12ClN3O2 — CID 73220451

IUPAC5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one
SMILESO=C1N=c2ccc(NCc3ccc(-c4cccc(Cl)c4)o3)cc2=N1
InChIInChI=1S/C18H12ClN3O2/c19-12-3-1-2-11(8-12)17-7-5-14(24-17)10-20-13-4-6-15-16(9-13)22-18(23)21-15/h1-9,20H,10H2
InChIKeyPZCZZEMPYRDRFV-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.58
Rot. Bonds4

About 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one

5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one (PubChem CID 73220451) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one.

Molecular Properties

Compound Name5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one
PubChem CID73220451
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one
SMILESO=C1N=c2ccc(NCc3ccc(-c4cccc(Cl)c4)o3)cc2=N1
InChIInChI=1S/C18H12ClN3O2/c19-12-3-1-2-11(8-12)17-7-5-14(24-17)10-20-13-4-6-15-16(9-13)22-18(23)21-15/h1-9,20H,10H2
InChIKeyPZCZZEMPYRDRFV-UHFFFAOYSA-N
XLogP3.58
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzoic acid
CID 17058476
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride
CID 163328000
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine
CID 91674310
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17332172
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine
CID 4723694
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one?
The IUPAC name of 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one (CID 73220451) is 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one.
What is the SMILES notation for 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one?
The canonical SMILES for 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one is O=C1N=c2ccc(NCc3ccc(-c4cccc(Cl)c4)o3)cc2=N1.
What is the InChIKey of 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one?
The InChIKey is PZCZZEMPYRDRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-12-3-1-2-11(8-12)17-7-5-14(24-17)10-20-13-4-6-15-16(9-13)22-18(23)21-15/h1-9,20H,10H2.
What are the key properties of 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one?
5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one has a molecular weight of 337.77 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzimidazol-2-one is sourced from PubChem (CID 73220451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).