N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine

C15H22FN3 — CID 82336306

IUPACN-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
SMILESCCCCN(C)C(CC)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H22FN3/c1-4-6-9-19(3)14(5-2)15-17-12-8-7-11(16)10-13(12)18-15/h7-8,10,14H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyNVJFVGUNTPRGFW-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.88
Rot. Bonds6

About N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine

N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine (PubChem CID 82336306) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
PubChem CID82336306
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
SMILESCCCCN(C)C(CC)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H22FN3/c1-4-6-9-19(3)14(5-2)15-17-12-8-7-11(16)10-13(12)18-15/h7-8,10,14H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyNVJFVGUNTPRGFW-UHFFFAOYSA-N
XLogP3.88
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(6-ethyl-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336357
N-[1-(1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336426
2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol
CID 82336298
1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine
CID 112514528
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
CID 82336282
3-[1-(1H-benzimidazol-2-yl)propyl-methylamino]propanoic acid
CID 82336431
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 131930499

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine?
The IUPAC name of N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine (CID 82336306) is N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine is CCCCN(C)C(CC)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine?
The InChIKey is NVJFVGUNTPRGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-4-6-9-19(3)14(5-2)15-17-12-8-7-11(16)10-13(12)18-15/h7-8,10,14H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine?
N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine is sourced from PubChem (CID 82336306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).