N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine

C22H28N4 — CID 17446168

IUPACN-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1
InChIInChI=1S/C22H28N4/c1-17(2)25-13-11-19(12-14-25)23-15-18-7-9-20(10-8-18)26-16-24-21-5-3-4-6-22(21)26/h3-10,16-17,19,23H,11-15H2,1-2H3
InChIKeyXJFCNMZVHKKZRL-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.99
Rot. Bonds5

About N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 17446168) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID17446168
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1
InChIInChI=1S/C22H28N4/c1-17(2)25-13-11-19(12-14-25)23-15-18-7-9-20(10-8-18)26-16-24-21-5-3-4-6-22(21)26/h3-10,16-17,19,23H,11-15H2,1-2H3
InChIKeyXJFCNMZVHKKZRL-UHFFFAOYSA-N
XLogP3.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine (CID 17446168) is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is XJFCNMZVHKKZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-17(2)25-13-11-19(12-14-25)23-15-18-7-9-20(10-8-18)26-16-24-21-5-3-4-6-22(21)26/h3-10,16-17,19,23H,11-15H2,1-2H3.
What are the key properties of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 348.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 17446168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).