2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid

C15H11Cl2N3O2 — CID 82564583

IUPAC2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(NCc3cc(Cl)cc(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H11Cl2N3O2/c16-10-3-8(4-11(17)6-10)7-18-15-19-12-2-1-9(14(21)22)5-13(12)20-15/h1-6H,7H2,(H,21,22)(H2,18,19,20)
InChIKeyFXLAYKUAIYIXKC-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.18
Rot. Bonds4

About 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid

2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid (PubChem CID 82564583) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
PubChem CID82564583
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(NCc3cc(Cl)cc(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H11Cl2N3O2/c16-10-3-8(4-11(17)6-10)7-18-15-19-12-2-1-9(14(21)22)5-13(12)20-15/h1-6H,7H2,(H,21,22)(H2,18,19,20)
InChIKeyFXLAYKUAIYIXKC-UHFFFAOYSA-N
XLogP4.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylate
CID 82564622
2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82563097
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
2-(2-acetamidoethylamino)-3H-benzimidazole-5-carboxylic acid
CID 82563089
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
methyl 2-[3-[(3,5-dichlorobenzoyl)amino]propylamino]-3H-benzimidazole-5-carboxylate
CID 122179076
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-[5-carboxy-2-(methylamino)anilino]-3H-benzimidazole-5-carboxylic acid
CID 71243108
6-chloro-N-(thiophen-3-ylmethyl)-1H-benzimidazol-2-amine
CID 69311089

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid (CID 82564583) is 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(NCc3cc(Cl)cc(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is FXLAYKUAIYIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-10-3-8(4-11(17)6-10)7-18-15-19-12-2-1-9(14(21)22)5-13(12)20-15/h1-6H,7H2,(H,21,22)(H2,18,19,20).
What are the key properties of 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid?
2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 336.18 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82564583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).