3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane

C16H19ClN4 — CID 166747175

IUPAC3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESCCc1nccn1Cc1cnc(N2CC3CC3C2)cc1Cl
InChIInChI=1S/C16H19ClN4/c1-2-15-18-3-4-20(15)10-13-7-19-16(6-14(13)17)21-8-11-5-12(11)9-21/h3-4,6-7,11-12H,2,5,8-10H2,1H3
InChIKeyPNEFRHUIBNDNQO-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.00
Rot. Bonds4

About 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane

3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 166747175) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
PubChem CID166747175
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESCCc1nccn1Cc1cnc(N2CC3CC3C2)cc1Cl
InChIInChI=1S/C16H19ClN4/c1-2-15-18-3-4-20(15)10-13-7-19-16(6-14(13)17)21-8-11-5-12(11)9-21/h3-4,6-7,11-12H,2,5,8-10H2,1H3
InChIKeyPNEFRHUIBNDNQO-UHFFFAOYSA-N
XLogP3.00
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752
3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine
CID 58996638
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
CID 163346437
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
3-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465807
6-chloro-7-[(2-ethylimidazol-1-yl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934753
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine
CID 114926849
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62018191

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane (CID 166747175) is 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane is CCc1nccn1Cc1cnc(N2CC3CC3C2)cc1Cl.
What is the InChIKey of 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is PNEFRHUIBNDNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-2-15-18-3-4-20(15)10-13-7-19-16(6-14(13)17)21-8-11-5-12(11)9-21/h3-4,6-7,11-12H,2,5,8-10H2,1H3.
What are the key properties of 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane?
3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 302.81 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 166747175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).