3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride

C14H21Cl2FN4O — CID 120504300

IUPAC3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1.Cl.Cl
InChIInChI=1S/C14H19FN4O.2ClH/c1-8(9(2)16)14(20)17-6-5-13-18-11-4-3-10(15)7-12(11)19-13;;/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,20)(H,18,19);2*1H
InChIKeyOBAJFQFVPCRINX-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.19
Rot. Bonds5

About 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120504300) has the molecular formula C14H21Cl2FN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
PubChem CID120504300
Molecular FormulaC14H21Cl2FN4O
Molecular Weight351.25 g/mol
Exact Mass350.11
IUPAC Name3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1.Cl.Cl
InChIInChI=1S/C14H19FN4O.2ClH/c1-8(9(2)16)14(20)17-6-5-13-18-11-4-3-10(15)7-12(11)19-13;;/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,20)(H,18,19);2*1H
InChIKeyOBAJFQFVPCRINX-UHFFFAOYSA-N
XLogP2.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
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(2S)-2-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119885407
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 84561103
3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
CID 120503091
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154864189
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride (CID 120504300) is 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is OBAJFQFVPCRINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O.2ClH/c1-8(9(2)16)14(20)17-6-5-13-18-11-4-3-10(15)7-12(11)19-13;;/h3-4,7-9H,5-6,16H2,1-2H3,(H,17,20)(H,18,19);2*1H.
What are the key properties of 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 351.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120504300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).