N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine

C16H21N3 — CID 106563131

IUPACN-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
SMILESCc1ccccc1Cn1ccnc1NC1CCCC1
InChIInChI=1S/C16H21N3/c1-13-6-2-3-7-14(13)12-19-11-10-17-16(19)18-15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3,(H,17,18)
InChIKeySDTUFKPTSSMDOX-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.59
Rot. Bonds4

About N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine

N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine (PubChem CID 106563131) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
PubChem CID106563131
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
SMILESCc1ccccc1Cn1ccnc1NC1CCCC1
InChIInChI=1S/C16H21N3/c1-13-6-2-3-7-14(13)12-19-11-10-17-16(19)18-15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3,(H,17,18)
InChIKeySDTUFKPTSSMDOX-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine (CID 106563131) is N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine is Cc1ccccc1Cn1ccnc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is SDTUFKPTSSMDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-6-2-3-7-14(13)12-19-11-10-17-16(19)18-15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine?
N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106563131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).