[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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Related Compounds

[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamic acid
CID 19105251
[6-[(Z)-C-(4-fluorophenyl)-N-oxidocarbonimidoyl]-1H-benzimidazol-2-yl]carbamic acid
CID 54715713
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 70609051
N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate
CID 21241858
methyl N-[6-[(4-fluorophenyl)-(4-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate
CID 14500558
[6-(1-imidazol-1-ylbutyl)-1H-benzimidazol-2-yl]carbamic acid
CID 21241849
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
CID 67736317
[6-[(E)-but-2-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21328024
(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine
CID 54919596
[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
CID 67736355

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).