N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride

C14H19Cl2FN4O — CID 119564817

IUPACN-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2cc(F)cc3[nH]cnc23)CCCC1
InChIInChI=1S/C14H17FN4O.2ClH/c15-9-5-10(12-11(6-9)17-8-18-12)13(20)19-14(7-16)3-1-2-4-14;;/h5-6,8H,1-4,7,16H2,(H,17,18)(H,19,20);2*1H
InChIKeyKQOIQRLZFNHZBF-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.55
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride (PubChem CID 119564817) has the molecular formula C14H19Cl2FN4O and a molecular weight of 349.24 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
PubChem CID119564817
Molecular FormulaC14H19Cl2FN4O
Molecular Weight349.24 g/mol
Exact Mass348.09
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2cc(F)cc3[nH]cnc23)CCCC1
InChIInChI=1S/C14H17FN4O.2ClH/c15-9-5-10(12-11(6-9)17-8-18-12)13(20)19-14(7-16)3-1-2-4-14;;/h5-6,8H,1-4,7,16H2,(H,17,18)(H,19,20);2*1H
InChIKeyKQOIQRLZFNHZBF-UHFFFAOYSA-N
XLogP2.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride (CID 119564817) is N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(NC(=O)c2cc(F)cc3[nH]cnc23)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
The InChIKey is KQOIQRLZFNHZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O.2ClH/c15-9-5-10(12-11(6-9)17-8-18-12)13(20)19-14(7-16)3-1-2-4-14;;/h5-6,8H,1-4,7,16H2,(H,17,18)(H,19,20);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride has a molecular weight of 349.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119564817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).