N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline

C22H18FN5 — CID 1288878

IUPACN,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline
SMILESFc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H18FN5/c23-15-9-11-16(12-10-15)28(13-21-24-17-5-1-2-6-18(17)25-21)14-22-26-19-7-3-4-8-20(19)27-22/h1-12H,13-14H2,(H,24,25)(H,26,27)
InChIKeyDMSRVMGEPBSKNM-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.79
Rot. Bonds5

About N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline

N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline (PubChem CID 1288878) has the molecular formula C22H18FN5 and a molecular weight of 371.42 g/mol. Its IUPAC name is N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline
PubChem CID1288878
Molecular FormulaC22H18FN5
Molecular Weight371.42 g/mol
Exact Mass371.15
IUPAC NameN,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline
SMILESFc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H18FN5/c23-15-9-11-16(12-10-15)28(13-21-24-17-5-1-2-6-18(17)25-21)14-22-26-19-7-3-4-8-20(19)27-22/h1-12H,13-14H2,(H,24,25)(H,26,27)
InChIKeyDMSRVMGEPBSKNM-UHFFFAOYSA-N
XLogP4.79
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline?
The IUPAC name of N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline (CID 1288878) is N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline.
What is the SMILES notation for N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline?
The canonical SMILES for N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline is Fc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline?
The InChIKey is DMSRVMGEPBSKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5/c23-15-9-11-16(12-10-15)28(13-21-24-17-5-1-2-6-18(17)25-21)14-22-26-19-7-3-4-8-20(19)27-22/h1-12H,13-14H2,(H,24,25)(H,26,27).
What are the key properties of N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline?
N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline has a molecular weight of 371.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-benzimidazol-2-ylmethyl)-4-fluoroaniline is sourced from PubChem (CID 1288878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).