1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine

C17H22FN5 — CID 131930499

IUPAC1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
SMILESCCCCc1ncc(CN(C)Cc2nc3ccc(F)cc3[nH]2)[nH]1
InChIInChI=1S/C17H22FN5/c1-3-4-5-16-19-9-13(20-16)10-23(2)11-17-21-14-7-6-12(18)8-15(14)22-17/h6-9H,3-5,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNDLPKFPICVSZHJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.40
Rot. Bonds7

About 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine

1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine (PubChem CID 131930499) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
PubChem CID131930499
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
SMILESCCCCc1ncc(CN(C)Cc2nc3ccc(F)cc3[nH]2)[nH]1
InChIInChI=1S/C17H22FN5/c1-3-4-5-16-19-9-13(20-16)10-23(2)11-17-21-14-7-6-12(18)8-15(14)22-17/h6-9H,3-5,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNDLPKFPICVSZHJ-UHFFFAOYSA-N
XLogP3.40
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine 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

6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine
CID 134711439
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 25284756
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 82335842
N-(1H-benzimidazol-2-ylmethyl)-1-[2-(cyclopentylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 74236272
N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(6-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 131891415

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine (CID 131930499) is 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine is CCCCc1ncc(CN(C)Cc2nc3ccc(F)cc3[nH]2)[nH]1.
What is the InChIKey of 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
The InChIKey is NDLPKFPICVSZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c1-3-4-5-16-19-9-13(20-16)10-23(2)11-17-21-14-7-6-12(18)8-15(14)22-17/h6-9H,3-5,10-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine?
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine has a molecular weight of 315.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 131930499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).