ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate

C17H15Cl2N3O2 — CID 82564622

IUPACethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(NCc3cc(Cl)cc(Cl)c3)[nH]c2c1
InChIInChI=1S/C17H15Cl2N3O2/c1-2-24-16(23)11-3-4-14-15(7-11)22-17(21-14)20-9-10-5-12(18)8-13(19)6-10/h3-8H,2,9H2,1H3,(H2,20,21,22)
InChIKeyAVONFCBXMMBQPK-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.66
Rot. Bonds5

About ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate

ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate (PubChem CID 82564622) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate
PubChem CID82564622
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Nameethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(NCc3cc(Cl)cc(Cl)c3)[nH]c2c1
InChIInChI=1S/C17H15Cl2N3O2/c1-2-24-16(23)11-3-4-14-15(7-11)22-17(21-14)20-9-10-5-12(18)8-13(19)6-10/h3-8H,2,9H2,1H3,(H2,20,21,22)
InChIKeyAVONFCBXMMBQPK-UHFFFAOYSA-N
XLogP4.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82564583
ethyl 2-(thiophen-2-ylmethylamino)-3H-benzimidazole-5-carboxylate
CID 82564599
ethyl 2-chloro-3H-benzimidazole-5-carboxylate
CID 24799637
2-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)amino]propanoic acid
CID 82563190
ethyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673681
ethyl 2-(2,6-difluoroanilino)-3H-benzimidazole-5-carboxylate
CID 82563145
ethyl 2-(2-bromoanilino)-3H-benzimidazole-5-carboxylate
CID 82563178
ethyl 2-(chloromethyl)-3H-benzimidazole-5-carboxylate;hydrochloride
CID 166000746
methyl 2-[3-[(3,5-dichlorobenzoyl)amino]propylamino]-3H-benzimidazole-5-carboxylate
CID 122179076
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3H-benzimidazole-5-carboxylate
CID 69066675
ethyl 2-(3-nitroanilino)-3H-benzimidazole-5-carboxylate
CID 82563148
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate (CID 82564622) is ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate is CCOC(=O)c1ccc2nc(NCc3cc(Cl)cc(Cl)c3)[nH]c2c1.
What is the InChIKey of ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate?
The InChIKey is AVONFCBXMMBQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-2-24-16(23)11-3-4-14-15(7-11)22-17(21-14)20-9-10-5-12(18)8-13(19)6-10/h3-8H,2,9H2,1H3,(H2,20,21,22).
What are the key properties of ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate?
ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate has a molecular weight of 364.23 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 82564622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).