5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one

C18H17ClN6O — CID 167809794

IUPAC5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(N(CCn3cncn3)Cc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C18H17ClN6O/c19-14-3-1-2-13(8-14)10-24(6-7-25-12-20-11-21-25)15-4-5-16-17(9-15)23-18(26)22-16/h1-5,8-9,11-12H,6-7,10H2,(H2,22,23,26)
InChIKeyVILKUEYXMAAADJ-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.81
Rot. Bonds6

About 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one

5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 167809794) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID167809794
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(N(CCn3cncn3)Cc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C18H17ClN6O/c19-14-3-1-2-13(8-14)10-24(6-7-25-12-20-11-21-25)15-4-5-16-17(9-15)23-18(26)22-16/h1-5,8-9,11-12H,6-7,10H2,(H2,22,23,26)
InChIKeyVILKUEYXMAAADJ-UHFFFAOYSA-N
XLogP2.81
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 46934268
N-[(3,4-dichlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine;hydrochloride
CID 52948059
5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 14751659
5-(didodecylamino)-1,3-dihydrobenzimidazol-2-one
CID 52913034
5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230508
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
3-[3-chloro-N-[(3-fluorophenyl)methyl]anilino]propanoic acid
CID 95532653
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
1-[(3-chlorophenyl)methylsulfanyl]-1,3,5-triazin-2-one
CID 88720891
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429756

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one (CID 167809794) is 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(N(CCn3cncn3)Cc3cccc(Cl)c3)cc2[nH]1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VILKUEYXMAAADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-14-3-1-2-13(8-14)10-24(6-7-25-12-20-11-21-25)15-4-5-16-17(9-15)23-18(26)22-16/h1-5,8-9,11-12H,6-7,10H2,(H2,22,23,26).
What are the key properties of 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 368.83 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167809794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).