N-cyclopentyl-4-(1H-imidazol-5-yl)aniline

C14H17N3 — CID 43722405

IUPACN-cyclopentyl-4-(1H-imidazol-5-yl)aniline
SMILESc1ncc(-c2ccc(NC3CCCC3)cc2)[nH]1
InChIInChI=1S/C14H17N3/c1-2-4-12(3-1)17-13-7-5-11(6-8-13)14-9-15-10-16-14/h5-10,12,17H,1-4H2,(H,15,16)
InChIKeyJSWAOETVSWKAPR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.43
Rot. Bonds3

About N-cyclopentyl-4-(1H-imidazol-5-yl)aniline

N-cyclopentyl-4-(1H-imidazol-5-yl)aniline (PubChem CID 43722405) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopentyl-4-(1H-imidazol-5-yl)aniline.

Molecular Properties

Compound NameN-cyclopentyl-4-(1H-imidazol-5-yl)aniline
PubChem CID43722405
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-cyclopentyl-4-(1H-imidazol-5-yl)aniline
SMILESc1ncc(-c2ccc(NC3CCCC3)cc2)[nH]1
InChIInChI=1S/C14H17N3/c1-2-4-12(3-1)17-13-7-5-11(6-8-13)14-9-15-10-16-14/h5-10,12,17H,1-4H2,(H,15,16)
InChIKeyJSWAOETVSWKAPR-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
CID 43722407
N-cyclopropyl-4-(1H-imidazol-5-yl)aniline
CID 103439039
N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084298
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 43722508
N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline
CID 64501713
N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline
CID 43786474
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
CID 64760237
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674
N-[4-(1H-imidazol-5-yl)phenyl]-5,5-dimethylthian-3-amine
CID 79957974
N-[4-(1H-imidazol-5-yl)phenyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865255
N-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(1H-imidazol-5-yl)aniline?
The IUPAC name of N-cyclopentyl-4-(1H-imidazol-5-yl)aniline (CID 43722405) is N-cyclopentyl-4-(1H-imidazol-5-yl)aniline.
What is the SMILES notation for N-cyclopentyl-4-(1H-imidazol-5-yl)aniline?
The canonical SMILES for N-cyclopentyl-4-(1H-imidazol-5-yl)aniline is c1ncc(-c2ccc(NC3CCCC3)cc2)[nH]1.
What is the InChIKey of N-cyclopentyl-4-(1H-imidazol-5-yl)aniline?
The InChIKey is JSWAOETVSWKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-12(3-1)17-13-7-5-11(6-8-13)14-9-15-10-16-14/h5-10,12,17H,1-4H2,(H,15,16).
What are the key properties of N-cyclopentyl-4-(1H-imidazol-5-yl)aniline?
N-cyclopentyl-4-(1H-imidazol-5-yl)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(1H-imidazol-5-yl)aniline is sourced from PubChem (CID 43722405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).