1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine

C20H27N5O — CID 128976454

IUPAC1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCCn1ccnc1C(NCc1cnc2c(C)cccn12)C1CCOCC1
InChIInChI=1S/C20H27N5O/c1-3-24-10-8-21-20(24)18(16-6-11-26-12-7-16)22-13-17-14-23-19-15(2)5-4-9-25(17)19/h4-5,8-10,14,16,18,22H,3,6-7,11-13H2,1-2H3
InChIKeySHHUKFIBFNILPI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.12
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine

1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 128976454) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID128976454
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCCn1ccnc1C(NCc1cnc2c(C)cccn12)C1CCOCC1
InChIInChI=1S/C20H27N5O/c1-3-24-10-8-21-20(24)18(16-6-11-26-12-7-16)22-13-17-14-23-19-15(2)5-4-9-25(17)19/h4-5,8-10,14,16,18,22H,3,6-7,11-13H2,1-2H3
InChIKeySHHUKFIBFNILPI-UHFFFAOYSA-N
XLogP3.12
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethylimidazol-2-yl)-N-(1H-indazol-6-ylmethyl)-1-(oxan-4-yl)methanamine
CID 128976689
(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
CID 129482196
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
CID 167794018
4-[[[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-2-methoxybenzonitrile
CID 129483498
4-[[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 128969600
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]oxan-3-amine
CID 128981950
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
CID 128988050
N-[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methylpyridine-3-carboxamide
CID 129351792
6-[[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 154796340
4-benzoyl-N-[(S)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]piperazine-1-carboxamide
CID 164638768
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 128988103
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine (CID 128976454) is 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine is CCn1ccnc1C(NCc1cnc2c(C)cccn12)C1CCOCC1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is SHHUKFIBFNILPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-24-10-8-21-20(24)18(16-6-11-26-12-7-16)22-13-17-14-23-19-15(2)5-4-9-25(17)19/h4-5,8-10,14,16,18,22H,3,6-7,11-13H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine?
1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 353.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 128976454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).