[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride

C15H15Cl2FN4O2 — CID 67842381

IUPAC[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
SMILESCl.Cl.NC(c1ccc(F)cc1)c1ccc2nc(NC(=O)O)[nH]c2c1
InChIInChI=1S/C15H13FN4O2.2ClH/c16-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18-11)20-15(21)22;;/h1-7,13H,17H2,(H,21,22)(H2,18,19,20);2*1H
InChIKeyOYFUMKMDKVJAOI-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.68
Rot. Bonds3

About [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride

[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride (PubChem CID 67842381) has the molecular formula C15H15Cl2FN4O2 and a molecular weight of 373.22 g/mol. Its IUPAC name is [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride.

Molecular Properties

Compound Name[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
PubChem CID67842381
Molecular FormulaC15H15Cl2FN4O2
Molecular Weight373.22 g/mol
Exact Mass372.06
IUPAC Name[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
SMILESCl.Cl.NC(c1ccc(F)cc1)c1ccc2nc(NC(=O)O)[nH]c2c1
InChIInChI=1S/C15H13FN4O2.2ClH/c16-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18-11)20-15(21)22;;/h1-7,13H,17H2,(H,21,22)(H2,18,19,20);2*1H
InChIKeyOYFUMKMDKVJAOI-UHFFFAOYSA-N
XLogP3.68
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride?
The IUPAC name of [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride (CID 67842381) is [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride.
What is the SMILES notation for [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride?
The canonical SMILES for [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride is Cl.Cl.NC(c1ccc(F)cc1)c1ccc2nc(NC(=O)O)[nH]c2c1.
What is the InChIKey of [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride?
The InChIKey is OYFUMKMDKVJAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2.2ClH/c16-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18-11)20-15(21)22;;/h1-7,13H,17H2,(H,21,22)(H2,18,19,20);2*1H.
What are the key properties of [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride?
[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride has a molecular weight of 373.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride is sourced from PubChem (CID 67842381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).