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

C12H13N3 — CID 103439039

IUPACN-cyclopropyl-4-(1H-imidazol-5-yl)aniline
SMILESc1ncc(-c2ccc(NC3CC3)cc2)[nH]1
InChIInChI=1S/C12H13N3/c1-3-10(15-11-5-6-11)4-2-9(1)12-7-13-8-14-12/h1-4,7-8,11,15H,5-6H2,(H,13,14)
InChIKeySXVOTQQHBOQKPG-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.65
Rot. Bonds3

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

N-cyclopropyl-4-(1H-imidazol-5-yl)aniline (PubChem CID 103439039) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-cyclopropyl-4-(1H-imidazol-5-yl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-4-(1H-imidazol-5-yl)aniline
PubChem CID103439039
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-cyclopropyl-4-(1H-imidazol-5-yl)aniline
SMILESc1ncc(-c2ccc(NC3CC3)cc2)[nH]1
InChIInChI=1S/C12H13N3/c1-3-10(15-11-5-6-11)4-2-9(1)12-7-13-8-14-12/h1-4,7-8,11,15H,5-6H2,(H,13,14)
InChIKeySXVOTQQHBOQKPG-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(1H-imidazol-5-yl)aniline
CID 43722405
N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
CID 43722407
N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline
CID 64501713
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-[4-(1H-imidazol-5-yl)phenyl]-5,5-dimethylthian-3-amine
CID 79957974
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
CID 64760237
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
N-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1H-imidazol-5-yl)aniline?
The IUPAC name of N-cyclopropyl-4-(1H-imidazol-5-yl)aniline (CID 103439039) is N-cyclopropyl-4-(1H-imidazol-5-yl)aniline.
What is the SMILES notation for N-cyclopropyl-4-(1H-imidazol-5-yl)aniline?
The canonical SMILES for N-cyclopropyl-4-(1H-imidazol-5-yl)aniline is c1ncc(-c2ccc(NC3CC3)cc2)[nH]1.
What is the InChIKey of N-cyclopropyl-4-(1H-imidazol-5-yl)aniline?
The InChIKey is SXVOTQQHBOQKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-10(15-11-5-6-11)4-2-9(1)12-7-13-8-14-12/h1-4,7-8,11,15H,5-6H2,(H,13,14).
What are the key properties of N-cyclopropyl-4-(1H-imidazol-5-yl)aniline?
N-cyclopropyl-4-(1H-imidazol-5-yl)aniline has a molecular weight of 199.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1H-imidazol-5-yl)aniline is sourced from PubChem (CID 103439039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).