N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine

C16H21N3 — CID 60851238

IUPACN-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
SMILESCc1ccccc1-c1cnc(CNC2CCCC2)[nH]1
InChIInChI=1S/C16H21N3/c1-12-6-2-5-9-14(12)15-10-18-16(19-15)11-17-13-7-3-4-8-13/h2,5-6,9-10,13,17H,3-4,7-8,11H2,1H3,(H,18,19)
InChIKeyDHPPRRPGMYMKBJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.42
Rot. Bonds4

About N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine

N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine (PubChem CID 60851238) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
PubChem CID60851238
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
SMILESCc1ccccc1-c1cnc(CNC2CCCC2)[nH]1
InChIInChI=1S/C16H21N3/c1-12-6-2-5-9-14(12)15-10-18-16(19-15)11-17-13-7-3-4-8-13/h2,5-6,9-10,13,17H,3-4,7-8,11H2,1H3,(H,18,19)
InChIKeyDHPPRRPGMYMKBJ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine (CID 60851238) is N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine is Cc1ccccc1-c1cnc(CNC2CCCC2)[nH]1.
What is the InChIKey of N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is DHPPRRPGMYMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-2-5-9-14(12)15-10-18-16(19-15)11-17-13-7-3-4-8-13/h2,5-6,9-10,13,17H,3-4,7-8,11H2,1H3,(H,18,19).
What are the key properties of N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 255.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 60851238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).