N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine

C14H19FN4 — CID 103294689

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESCCN1CCCC1CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H19FN4/c1-2-19-7-3-4-11(19)9-16-14-17-12-6-5-10(15)8-13(12)18-14/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,17,18)
InChIKeyHNXCJVJSBFTHQN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.60
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 103294689) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
PubChem CID103294689
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESCCN1CCCC1CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H19FN4/c1-2-19-7-3-4-11(19)9-16-14-17-12-6-5-10(15)8-13(12)18-14/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,17,18)
InChIKeyHNXCJVJSBFTHQN-UHFFFAOYSA-N
XLogP2.60
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitro-1H-benzimidazol-2-amine
CID 78911140
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294732
6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 103295044
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile
CID 63673607
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
2-[2-(bromomethyl)piperidin-1-yl]-6-fluoro-1H-benzimidazole
CID 103295609
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
2-N-(2,4-difluorophenyl)-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 142668736
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine (CID 103294689) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine is CCN1CCCC1CNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is HNXCJVJSBFTHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-2-19-7-3-4-11(19)9-16-14-17-12-6-5-10(15)8-13(12)18-14/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,17,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 262.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).