5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine

C14H17BrN4O — CID 167927118

IUPAC5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
SMILESBrc1cnc(NCc2cnc[nH]2)cc1OC1CCCC1
InChIInChI=1S/C14H17BrN4O/c15-12-8-18-14(17-7-10-6-16-9-19-10)5-13(12)20-11-3-1-2-4-11/h5-6,8-9,11H,1-4,7H2,(H,16,19)(H,17,18)
InChIKeyFNTMROSUPTUGQM-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.50
Rot. Bonds5

About 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine

5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine (PubChem CID 167927118) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
PubChem CID167927118
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
SMILESBrc1cnc(NCc2cnc[nH]2)cc1OC1CCCC1
InChIInChI=1S/C14H17BrN4O/c15-12-8-18-14(17-7-10-6-16-9-19-10)5-13(12)20-11-3-1-2-4-11/h5-6,8-9,11H,1-4,7H2,(H,16,19)(H,17,18)
InChIKeyFNTMROSUPTUGQM-UHFFFAOYSA-N
XLogP3.50
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
CID 106195358
5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
CID 62761956
2-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761211
N-[(2-cyclobutyloxyphenyl)methyl]pyrazin-2-amine
CID 133308784
5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine
CID 166607102
5-chloro-N-(1H-imidazol-5-ylmethyl)-2,4-dimethoxyaniline
CID 62761367
4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine
CID 116736060
1-(2-bromo-4,5-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 63378781
2-cyclopentyloxy-5-(1H-imidazol-5-yl)benzonitrile
CID 174975032
5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122053135
6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195023
N-cyclopentyl-2-(1H-imidazol-5-yl)acetamide
CID 110684053

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine (CID 167927118) is 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine is Brc1cnc(NCc2cnc[nH]2)cc1OC1CCCC1.
What is the InChIKey of 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine?
The InChIKey is FNTMROSUPTUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c15-12-8-18-14(17-7-10-6-16-9-19-10)5-13(12)20-11-3-1-2-4-11/h5-6,8-9,11H,1-4,7H2,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine?
5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine has a molecular weight of 337.22 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyloxy-N-(1H-imidazol-5-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 167927118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).