[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine

C14H16BrN3 — CID 116882338

IUPAC[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
SMILESNCC1(c2ncc(-c3ccccc3Br)[nH]2)CCC1
InChIInChI=1S/C14H16BrN3/c15-11-5-2-1-4-10(11)12-8-17-13(18-12)14(9-16)6-3-7-14/h1-2,4-5,8H,3,6-7,9,16H2,(H,17,18)
InChIKeyNVSBJTJDNZBNFL-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.22
Rot. Bonds3

About [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine

[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine (PubChem CID 116882338) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
PubChem CID116882338
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
SMILESNCC1(c2ncc(-c3ccccc3Br)[nH]2)CCC1
InChIInChI=1S/C14H16BrN3/c15-11-5-2-1-4-10(11)12-8-17-13(18-12)14(9-16)6-3-7-14/h1-2,4-5,8H,3,6-7,9,16H2,(H,17,18)
InChIKeyNVSBJTJDNZBNFL-UHFFFAOYSA-N
XLogP3.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65459361
[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882144
[1-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882113
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43650934
2-bromo-5-(2-bromophenyl)-1H-imidazole
CID 117259929
2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol
CID 105486642
[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882317
[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882112
[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882117
[3-(5-phenyl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882707
6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651769
[1-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]cyclobutyl]methanol
CID 116882462

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine (CID 116882338) is [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine is NCC1(c2ncc(-c3ccccc3Br)[nH]2)CCC1.
What is the InChIKey of [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine?
The InChIKey is NVSBJTJDNZBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-11-5-2-1-4-10(11)12-8-17-13(18-12)14(9-16)6-3-7-14/h1-2,4-5,8H,3,6-7,9,16H2,(H,17,18).
What are the key properties of [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine?
[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine has a molecular weight of 306.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116882338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).