N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline

C16H21N3 — CID 64501713

IUPACN-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline
SMILESCCC1CCC(Nc2ccc(-c3cnc[nH]3)cc2)C1
InChIInChI=1S/C16H21N3/c1-2-12-3-6-15(9-12)19-14-7-4-13(5-8-14)16-10-17-11-18-16/h4-5,7-8,10-12,15,19H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyQFVIRBZTLTTZSV-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.07
Rot. Bonds4

About N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline

N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline (PubChem CID 64501713) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline
PubChem CID64501713
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline
SMILESCCC1CCC(Nc2ccc(-c3cnc[nH]3)cc2)C1
InChIInChI=1S/C16H21N3/c1-2-12-3-6-15(9-12)19-14-7-4-13(5-8-14)16-10-17-11-18-16/h4-5,7-8,10-12,15,19H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyQFVIRBZTLTTZSV-UHFFFAOYSA-N
XLogP4.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(1H-imidazol-5-yl)aniline
CID 103439039
N-cyclopentyl-4-(1H-imidazol-5-yl)aniline
CID 43722405
N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
CID 43722407
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-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
CID 64760237
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-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline
CID 43786474
4-(1H-imidazol-5-yl)-N-pentylaniline
CID 43722360
N-(3-ethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64501891

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline?
The IUPAC name of N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline (CID 64501713) is N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline.
What is the SMILES notation for N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline?
The canonical SMILES for N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline is CCC1CCC(Nc2ccc(-c3cnc[nH]3)cc2)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline?
The InChIKey is QFVIRBZTLTTZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-12-3-6-15(9-12)19-14-7-4-13(5-8-14)16-10-17-11-18-16/h4-5,7-8,10-12,15,19H,2-3,6,9H2,1H3,(H,17,18).
What are the key properties of N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline?
N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline has a molecular weight of 255.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline is sourced from PubChem (CID 64501713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).