4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C15H19BrN4 — CID 66161739

IUPAC4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NCc1cncn1C1CC1
InChIInChI=1S/C15H19BrN4/c1-19(2)15-6-3-11(16)7-14(15)18-9-13-8-17-10-20(13)12-4-5-12/h3,6-8,10,12,18H,4-5,9H2,1-2H3
InChIKeyFUACIXBDEBNUBB-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.66
Rot. Bonds5

About 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 66161739) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID66161739
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NCc1cncn1C1CC1
InChIInChI=1S/C15H19BrN4/c1-19(2)15-6-3-11(16)7-14(15)18-9-13-8-17-10-20(13)12-4-5-12/h3,6-8,10,12,18H,4-5,9H2,1-2H3
InChIKeyFUACIXBDEBNUBB-UHFFFAOYSA-N
XLogP3.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylaniline
CID 66162669
4-bromo-2-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66164277
6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine
CID 81266001
2-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylaniline
CID 82761082
2-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-4-fluoroaniline
CID 66161889
4-bromo-2,3-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 107788117
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
CID 66162533
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 79041997
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
CID 66164456
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylsulfonylaniline
CID 66162319
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline
CID 66164331
3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66162069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 66161739) is 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Br)cc1NCc1cncn1C1CC1.
What is the InChIKey of 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is FUACIXBDEBNUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-19(2)15-6-3-11(16)7-14(15)18-9-13-8-17-10-20(13)12-4-5-12/h3,6-8,10,12,18H,4-5,9H2,1-2H3.
What are the key properties of 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 66161739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).