3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline

C15H18ClN3 — CID 64500411

IUPAC3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2cccc(Cl)c2-n2ccnc2)C1
InChIInChI=1S/C15H18ClN3/c1-11-5-6-12(9-11)18-14-4-2-3-13(16)15(14)19-8-7-17-10-19/h2-4,7-8,10-12,18H,5-6,9H2,1H3
InChIKeyULVGPDPXZZXJIM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.13
Rot. Bonds3

About 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline

3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline (PubChem CID 64500411) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline
PubChem CID64500411
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2cccc(Cl)c2-n2ccnc2)C1
InChIInChI=1S/C15H18ClN3/c1-11-5-6-12(9-11)18-14-4-2-3-13(16)15(14)19-8-7-17-10-19/h2-4,7-8,10-12,18H,5-6,9H2,1H3
InChIKeyULVGPDPXZZXJIM-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline (CID 64500411) is 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline is CC1CCC(Nc2cccc(Cl)c2-n2ccnc2)C1.
What is the InChIKey of 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline?
The InChIKey is ULVGPDPXZZXJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-5-6-12(9-11)18-14-4-2-3-13(16)15(14)19-8-7-17-10-19/h2-4,7-8,10-12,18H,5-6,9H2,1H3.
What are the key properties of 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline?
3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline has a molecular weight of 275.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64500411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).