N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

C13H17Cl2FN4O — CID 119885405

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCNC1
InChIInChI=1S/C13H15FN4O.2ClH/c14-9-1-2-10-11(5-9)18-12(17-10)7-16-13(19)8-3-4-15-6-8;;/h1-2,5,8,15H,3-4,6-7H2,(H,16,19)(H,17,18);2*1H
InChIKeyDHDJYBLJNQWMCY-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.77
Rot. Bonds3

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119885405) has the molecular formula C13H17Cl2FN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119885405
Molecular FormulaC13H17Cl2FN4O
Molecular Weight335.21 g/mol
Exact Mass334.08
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCNC1
InChIInChI=1S/C13H15FN4O.2ClH/c14-9-1-2-10-11(5-9)18-12(17-10)7-16-13(19)8-3-4-15-6-8;;/h1-2,5,8,15H,3-4,6-7H2,(H,16,19)(H,17,18);2*1H
InChIKeyDHDJYBLJNQWMCY-UHFFFAOYSA-N
XLogP1.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 122564449
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119885363
(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081687
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119885398
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
(3R,6S)-6-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)azepane-3-carboxamide
CID 165420903
(9S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125165083
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 154839872
1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 131913033
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119885405) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCNC1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is DHDJYBLJNQWMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O.2ClH/c14-9-1-2-10-11(5-9)18-12(17-10)7-16-13(19)8-3-4-15-6-8;;/h1-2,5,8,15H,3-4,6-7H2,(H,16,19)(H,17,18);2*1H.
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 335.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119885405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).