1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine

C14H16BrN3 — CID 116882172

IUPAC1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2ncc(-c3ccc(Br)cc3)[nH]2)CC1
InChIInChI=1S/C14H16BrN3/c1-16-9-14(6-7-14)13-17-8-12(18-13)10-2-4-11(15)5-3-10/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyNTFASAGSAWXMAF-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.09
Rot. Bonds4

About 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine

1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine (PubChem CID 116882172) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
PubChem CID116882172
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2ncc(-c3ccc(Br)cc3)[nH]2)CC1
InChIInChI=1S/C14H16BrN3/c1-16-9-14(6-7-14)13-17-8-12(18-13)10-2-4-11(15)5-3-10/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyNTFASAGSAWXMAF-UHFFFAOYSA-N
XLogP3.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882166
N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882188
1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882176
N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882217
[1-(5-pyridin-4-yl-1H-imidazol-2-yl)cyclopropyl]methanol
CID 116882053
[1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882019
3-[5-(4-bromophenyl)-1H-imidazol-2-yl]oxetane-3-carboxylic acid
CID 116882604
1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine
CID 116886927
N-methyl-1-[1-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882213
[1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882008
1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007341
[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882014

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine (CID 116882172) is 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine is CNCC1(c2ncc(-c3ccc(Br)cc3)[nH]2)CC1.
What is the InChIKey of 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The InChIKey is NTFASAGSAWXMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-16-9-14(6-7-14)13-17-8-12(18-13)10-2-4-11(15)5-3-10/h2-5,8,16H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116882172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).