3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

C16H23Cl2FN4O — CID 119882360

IUPAC3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)C2CCC(N)C2)nc2cc(F)ccc21
InChIInChI=1S/C16H21FN4O.2ClH/c1-21-14-5-3-11(17)9-13(14)20-15(21)6-7-19-16(22)10-2-4-12(18)8-10;;/h3,5,9-10,12H,2,4,6-8,18H2,1H3,(H,19,22);2*1H
InChIKeyJPIPPWYYUJGUCH-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.34
Rot. Bonds4

About 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119882360) has the molecular formula C16H23Cl2FN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119882360
Molecular FormulaC16H23Cl2FN4O
Molecular Weight377.29 g/mol
Exact Mass376.12
IUPAC Name3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)C2CCC(N)C2)nc2cc(F)ccc21
InChIInChI=1S/C16H21FN4O.2ClH/c1-21-14-5-3-11(17)9-13(14)20-15(21)6-7-19-16(22)10-2-4-12(18)8-10;;/h3,5,9-10,12H,2,4,6-8,18H2,1H3,(H,19,22);2*1H
InChIKeyJPIPPWYYUJGUCH-UHFFFAOYSA-N
XLogP2.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119882386
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882368
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119816279
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 124697386
3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119888825
N-[2-(5-acetamido-1-methylbenzimidazol-2-yl)ethyl]cyclopentanecarboxamide
CID 46270354
cis-(1R,3S)-3-amino-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 118782599
2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119883563
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119882360) is 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.Cn1c(CCNC(=O)C2CCC(N)C2)nc2cc(F)ccc21.
What is the InChIKey of 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is JPIPPWYYUJGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O.2ClH/c1-21-14-5-3-11(17)9-13(14)20-15(21)6-7-19-16(22)10-2-4-12(18)8-10;;/h3,5,9-10,12H,2,4,6-8,18H2,1H3,(H,19,22);2*1H.
What are the key properties of 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 377.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119882360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).