2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine

C16H21N3O — CID 43734304

IUPAC2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCOc1cccc(CNC2CCCC2n2ccnc2)c1
InChIInChI=1S/C16H21N3O/c1-20-14-5-2-4-13(10-14)11-18-15-6-3-7-16(15)19-9-8-17-12-19/h2,4-5,8-10,12,15-16,18H,3,6-7,11H2,1H3
InChIKeyQUCUOYKPFMTBKZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds5

About 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine

2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 43734304) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID43734304
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCOc1cccc(CNC2CCCC2n2ccnc2)c1
InChIInChI=1S/C16H21N3O/c1-20-14-5-2-4-13(10-14)11-18-15-6-3-7-16(15)19-9-8-17-12-19/h2,4-5,8-10,12,15-16,18H,3,6-7,11H2,1H3
InChIKeyQUCUOYKPFMTBKZ-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734301
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
2-imidazol-1-yl-N-[(1-methylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 66398331
2-imidazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 63051722
N-(furan-3-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine
CID 63204637
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
2-imidazol-1-yl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 43734309
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
2-imidazol-1-yl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43734339
N-[(2-bromophenyl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 43734382
N-[(5-ethylfuran-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 62345276
N-[(5-ethylthiophen-2-yl)methyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 55062118

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine (CID 43734304) is 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine is COc1cccc(CNC2CCCC2n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is QUCUOYKPFMTBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-5-2-4-13(10-14)11-18-15-6-3-7-16(15)19-9-8-17-12-19/h2,4-5,8-10,12,15-16,18H,3,6-7,11H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine?
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 43734304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).