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

C16H23Cl2FN4O — CID 119882368

IUPAC1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)C2(N)CCCC2)nc2cc(F)ccc21
InChIInChI=1S/C16H21FN4O.2ClH/c1-21-13-5-4-11(17)10-12(13)20-14(21)6-9-19-15(22)16(18)7-2-3-8-16;;/h4-5,10H,2-3,6-9,18H2,1H3,(H,19,22);2*1H
InChIKeyCVWYMPBCRKFKTJ-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.49
Rot. Bonds4

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

1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119882368) has the molecular formula C16H23Cl2FN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119882368
Molecular FormulaC16H23Cl2FN4O
Molecular Weight377.29 g/mol
Exact Mass376.12
IUPAC Name1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)C2(N)CCCC2)nc2cc(F)ccc21
InChIInChI=1S/C16H21FN4O.2ClH/c1-21-13-5-4-11(17)10-12(13)20-14(21)6-9-19-15(22)16(18)7-2-3-8-16;;/h4-5,10H,2-3,6-9,18H2,1H3,(H,19,22);2*1H
InChIKeyCVWYMPBCRKFKTJ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882360
2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 56804714
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119882386
2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071138
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 124697386
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 78906097
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119883563

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119882368) is 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.Cn1c(CCNC(=O)C2(N)CCCC2)nc2cc(F)ccc21.
What is the InChIKey of 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is CVWYMPBCRKFKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O.2ClH/c1-21-13-5-4-11(17)10-12(13)20-14(21)6-9-19-15(22)16(18)7-2-3-8-16;;/h4-5,10H,2-3,6-9,18H2,1H3,(H,19,22);2*1H.
What are the key properties of 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
1-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 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119882368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).