N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine

C21H25BrN4 — CID 3308335

IUPACN-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESBrc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C21H25BrN4/c22-18-10-8-17(9-11-18)16-23-21-24-19-6-2-3-7-20(19)26(21)15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2,(H,23,24)
InChIKeyHONMOBIEDAAPGC-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.90
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine

N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (PubChem CID 3308335) has the molecular formula C21H25BrN4 and a molecular weight of 413.36 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
PubChem CID3308335
Molecular FormulaC21H25BrN4
Molecular Weight413.36 g/mol
Exact Mass412.13
IUPAC NameN-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
SMILESBrc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1
InChIInChI=1S/C21H25BrN4/c22-18-10-8-17(9-11-18)16-23-21-24-19-6-2-3-7-20(19)26(21)15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2,(H,23,24)
InChIKeyHONMOBIEDAAPGC-UHFFFAOYSA-N
XLogP4.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine (CID 3308335) is N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is Brc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
The InChIKey is HONMOBIEDAAPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4/c22-18-10-8-17(9-11-18)16-23-21-24-19-6-2-3-7-20(19)26(21)15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2,(H,23,24).
What are the key properties of N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine?
N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine has a molecular weight of 413.36 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 3308335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).