N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine

C14H16BrN3 — CID 62222363

IUPACN-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Cn2ccnc2CNC2CC2)cc1
InChIInChI=1S/C14H16BrN3/c15-12-3-1-11(2-4-12)10-18-8-7-16-14(18)9-17-13-5-6-13/h1-4,7-8,13,17H,5-6,9-10H2
InChIKeyILQSJBAMNNBDHG-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.95
Rot. Bonds5

About N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine

N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 62222363) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
PubChem CID62222363
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Cn2ccnc2CNC2CC2)cc1
InChIInChI=1S/C14H16BrN3/c15-12-3-1-11(2-4-12)10-18-8-7-16-14(18)9-17-13-5-6-13/h1-4,7-8,13,17H,5-6,9-10H2
InChIKeyILQSJBAMNNBDHG-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile
CID 107883281
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 42818895
N-[[1-[(2-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 55048857
N-[[1-[(2-bromo-4-nitrophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62221107
N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-yl]methyl]cyclopropanamine
CID 107078498
N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65446788
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052
N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
CID 105348638
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole
CID 82562055

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine (CID 62222363) is N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine is Brc1ccc(Cn2ccnc2CNC2CC2)cc1.
What is the InChIKey of N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is ILQSJBAMNNBDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-12-3-1-11(2-4-12)10-18-8-7-16-14(18)9-17-13-5-6-13/h1-4,7-8,13,17H,5-6,9-10H2.
What are the key properties of N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 306.21 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62222363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).