N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

C14H19BrN4 — CID 66129614

IUPACN-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN4/c1-2-6-19-10-17-9-14(19)13(8-16)18-12-5-3-4-11(15)7-12/h3-5,7,9-10,13,18H,2,6,8,16H2,1H3
InChIKeyXAVMGGAMHBXFCO-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.17
Rot. Bonds6

About N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66129614) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66129614
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC NameN-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN4/c1-2-6-19-10-17-9-14(19)13(8-16)18-12-5-3-4-11(15)7-12/h3-5,7,9-10,13,18H,2,6,8,16H2,1H3
InChIKeyXAVMGGAMHBXFCO-UHFFFAOYSA-N
XLogP3.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetonitrile
CID 66131811
methyl 2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetate
CID 66132215
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130411
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119415
N-cyclopropyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130610
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694
N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 115406189
N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163812
N-but-3-yn-2-yl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 114416282
N-(3-bromophenyl)-1-isoquinolin-4-ylethane-1,2-diamine
CID 104504152

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66129614) is N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is XAVMGGAMHBXFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-2-6-19-10-17-9-14(19)13(8-16)18-12-5-3-4-11(15)7-12/h3-5,7,9-10,13,18H,2,6,8,16H2,1H3.
What are the key properties of N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 323.24 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66129614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).