N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine

C13H16BrN3 — CID 12674643

IUPACN-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESBrc1ccccc1N(CC1CC1)C1=NCCN1
InChIInChI=1S/C13H16BrN3/c14-11-3-1-2-4-12(11)17(9-10-5-6-10)13-15-7-8-16-13/h1-4,10H,5-9H2,(H,15,16)
InChIKeyDBPMGILHTOJWOM-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.62
Rot. Bonds3

About N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 12674643) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID12674643
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESBrc1ccccc1N(CC1CC1)C1=NCCN1
InChIInChI=1S/C13H16BrN3/c14-11-3-1-2-4-12(11)17(9-10-5-6-10)13-15-7-8-16-13/h1-4,10H,5-9H2,(H,15,16)
InChIKeyDBPMGILHTOJWOM-UHFFFAOYSA-N
XLogP2.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 12674643) is N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine is Brc1ccccc1N(CC1CC1)C1=NCCN1.
What is the InChIKey of N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is DBPMGILHTOJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-11-3-1-2-4-12(11)17(9-10-5-6-10)13-15-7-8-16-13/h1-4,10H,5-9H2,(H,15,16).
What are the key properties of N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 12674643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).