N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine

C16H21N3 — CID 63108633

IUPACN-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(C2(c3ccccc3)CCCC2)[nH]1
InChIInChI=1S/C16H21N3/c1-17-11-14-12-18-15(19-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,12,17H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyAOHIQVWBSSCANV-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.99
Rot. Bonds4

About N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine

N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine (PubChem CID 63108633) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
PubChem CID63108633
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(C2(c3ccccc3)CCCC2)[nH]1
InChIInChI=1S/C16H21N3/c1-17-11-14-12-18-15(19-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,12,17H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyAOHIQVWBSSCANV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine (CID 63108633) is N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine is CNCc1cnc(C2(c3ccccc3)CCCC2)[nH]1.
What is the InChIKey of N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is AOHIQVWBSSCANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-11-14-12-18-15(19-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,12,17H,5-6,9-11H2,1H3,(H,18,19).
What are the key properties of N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine?
N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 63108633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).