3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride

C13H19Cl2FN4O — CID 119883587

IUPAC3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)CCN)nc2ccc(F)cc21
InChIInChI=1S/C13H17FN4O.2ClH/c1-18-11-8-9(14)2-3-10(11)17-12(18)5-7-16-13(19)4-6-15;;/h2-3,8H,4-7,15H2,1H3,(H,16,19);2*1H
InChIKeyNFTDBEIRKMSLNB-UHFFFAOYSA-N
MW337.23 g/mol
LogP1.56
Rot. Bonds5

About 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride

3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119883587) has the molecular formula C13H19Cl2FN4O and a molecular weight of 337.23 g/mol. Its IUPAC name is 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
PubChem CID119883587
Molecular FormulaC13H19Cl2FN4O
Molecular Weight337.23 g/mol
Exact Mass336.09
IUPAC Name3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)CCN)nc2ccc(F)cc21
InChIInChI=1S/C13H17FN4O.2ClH/c1-18-11-8-9(14)2-3-10(11)17-12(18)5-7-16-13(19)4-6-15;;/h2-3,8H,4-7,15H2,1H3,(H,16,19);2*1H
InChIKeyNFTDBEIRKMSLNB-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119883563
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 56804714
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
3-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62375851
1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882368
(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 95324241
(2R,3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120941579

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride (CID 119883587) is 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride is Cl.Cl.Cn1c(CCNC(=O)CCN)nc2ccc(F)cc21.
What is the InChIKey of 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is NFTDBEIRKMSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O.2ClH/c1-18-11-8-9(14)2-3-10(11)17-12(18)5-7-16-13(19)4-6-15;;/h2-3,8H,4-7,15H2,1H3,(H,16,19);2*1H.
What are the key properties of 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride?
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 337.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119883587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).