N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine

C19H27BrN4 — CID 119128426

IUPACN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ncc(-c3cccc(Br)c3)[nH]2)CC1
InChIInChI=1S/C19H27BrN4/c1-19(2,3)24-9-7-16(8-10-24)21-13-18-22-12-17(23-18)14-5-4-6-15(20)11-14/h4-6,11-12,16,21H,7-10,13H2,1-3H3,(H,22,23)
InChIKeyPBFAMTOOCBSIRZ-UHFFFAOYSA-N
MW391.36 g/mol
LogP4.19
Rot. Bonds4

About N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine

N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine (PubChem CID 119128426) has the molecular formula C19H27BrN4 and a molecular weight of 391.36 g/mol. Its IUPAC name is N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine
PubChem CID119128426
Molecular FormulaC19H27BrN4
Molecular Weight391.36 g/mol
Exact Mass390.14
IUPAC NameN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ncc(-c3cccc(Br)c3)[nH]2)CC1
InChIInChI=1S/C19H27BrN4/c1-19(2,3)24-9-7-16(8-10-24)21-13-18-22-12-17(23-18)14-5-4-6-15(20)11-14/h4-6,11-12,16,21H,7-10,13H2,1-3H3,(H,22,23)
InChIKeyPBFAMTOOCBSIRZ-UHFFFAOYSA-N
XLogP4.19
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine?
The IUPAC name of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine (CID 119128426) is N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine.
What is the SMILES notation for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine?
The canonical SMILES for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine is CC(C)(C)N1CCC(NCc2ncc(-c3cccc(Br)c3)[nH]2)CC1.
What is the InChIKey of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine?
The InChIKey is PBFAMTOOCBSIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN4/c1-19(2,3)24-9-7-16(8-10-24)21-13-18-22-12-17(23-18)14-5-4-6-15(20)11-14/h4-6,11-12,16,21H,7-10,13H2,1-3H3,(H,22,23).
What are the key properties of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine?
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine has a molecular weight of 391.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine is sourced from PubChem (CID 119128426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).