3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline

C13H13Cl2N3 — CID 66162069

IUPAC3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
SMILESClc1ccc(NCc2cncn2C2CC2)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c14-12-4-1-9(5-13(12)15)17-7-11-6-16-8-18(11)10-2-3-10/h1,4-6,8,10,17H,2-3,7H2
InChIKeyURGZNEZYTLYVCF-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.14
Rot. Bonds4

About 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline

3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline (PubChem CID 66162069) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
PubChem CID66162069
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
SMILESClc1ccc(NCc2cncn2C2CC2)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c14-12-4-1-9(5-13(12)15)17-7-11-6-16-8-18(11)10-2-3-10/h1,4-6,8,10,17H,2-3,7H2
InChIKeyURGZNEZYTLYVCF-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-1H-imidazole
CID 142859
1-(3-Chlorophenyl)-1H-imidazole
CID 99349
3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24771985
3-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948458
1-(4-chlorophenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 3585502
N-(4-chlorophenyl)-N'-[3-(1H-imidazol-1-yl)propyl]urea
CID 2804810
1-(3-Chlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 2932800
2,6-dichloro-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178304
4-chloro-N-(1H-imidazol-2-ylmethyl)-N-propan-2-ylaniline
CID 18349589
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-propan-2-ylaniline
CID 24894367
3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 24946962
3-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24946964

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline (CID 66162069) is 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline is Clc1ccc(NCc2cncn2C2CC2)cc1Cl.
What is the InChIKey of 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline?
The InChIKey is URGZNEZYTLYVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c14-12-4-1-9(5-13(12)15)17-7-11-6-16-8-18(11)10-2-3-10/h1,4-6,8,10,17H,2-3,7H2.
What are the key properties of 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline?
3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline has a molecular weight of 282.17 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66162069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).