N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine

C26H31FN6 — CID 14013278

IUPACN-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H31FN6/c1-31-16-12-28-26(31)29-13-17-32-14-10-20(11-15-32)18-25-30-23-4-2-3-5-24(23)33(25)19-21-6-8-22(27)9-7-21/h2-9,12,16,20H,10-11,13-15,17-19H2,1H3,(H,28,29)
InChIKeyPQYNZZSNINROLO-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.32
Rot. Bonds8

About N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine

N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine (PubChem CID 14013278) has the molecular formula C26H31FN6 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine
PubChem CID14013278
Molecular FormulaC26H31FN6
Molecular Weight446.57 g/mol
Exact Mass446.26
IUPAC NameN-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H31FN6/c1-31-16-12-28-26(31)29-13-17-32-14-10-20(11-15-32)18-25-30-23-4-2-3-5-24(23)33(25)19-21-6-8-22(27)9-7-21/h2-9,12,16,20H,10-11,13-15,17-19H2,1H3,(H,28,29)
InChIKeyPQYNZZSNINROLO-UHFFFAOYSA-N
XLogP4.32
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine?
The IUPAC name of N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine (CID 14013278) is N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine.
What is the SMILES notation for N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine?
The canonical SMILES for N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine is Cn1ccnc1NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine?
The InChIKey is PQYNZZSNINROLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6/c1-31-16-12-28-26(31)29-13-17-32-14-10-20(11-15-32)18-25-30-23-4-2-3-5-24(23)33(25)19-21-6-8-22(27)9-7-21/h2-9,12,16,20H,10-11,13-15,17-19H2,1H3,(H,28,29).
What are the key properties of N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine?
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine has a molecular weight of 446.57 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 14013278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).