1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea

C18H27N5O — CID 138019683

IUPAC1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
SMILESCc1nc2ccccn2c1CNC(=O)NCC1CCN1C(C)(C)C
InChIInChI=1S/C18H27N5O/c1-13-15(22-9-6-5-7-16(22)21-13)12-20-17(24)19-11-14-8-10-23(14)18(2,3)4/h5-7,9,14H,8,10-12H2,1-4H3,(H2,19,20,24)
InChIKeySOGPMGOKITXLOO-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.31
Rot. Bonds4

About 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea

1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea (PubChem CID 138019683) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
PubChem CID138019683
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
SMILESCc1nc2ccccn2c1CNC(=O)NCC1CCN1C(C)(C)C
InChIInChI=1S/C18H27N5O/c1-13-15(22-9-6-5-7-16(22)21-13)12-20-17(24)19-11-14-8-10-23(14)18(2,3)4/h5-7,9,14H,8,10-12H2,1-4H3,(H2,19,20,24)
InChIKeySOGPMGOKITXLOO-UHFFFAOYSA-N
XLogP2.31
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea with MolForge

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
1-(1H-indol-2-ylmethyl)-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 146077167
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 154770903
1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 138019543
(2S,3S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-phenyloxolane-3-carboxamide
CID 164630958
(2R,3R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-phenyloxolane-3-carboxamide
CID 136587872
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 103838603
1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 146106347
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropan-1-amine
CID 62398309
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]thian-4-amine
CID 115685594
1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 61058402
5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 136568001

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea?
The IUPAC name of 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea (CID 138019683) is 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea?
The canonical SMILES for 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea is Cc1nc2ccccn2c1CNC(=O)NCC1CCN1C(C)(C)C.
What is the InChIKey of 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea?
The InChIKey is SOGPMGOKITXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-15(22-9-6-5-7-16(22)21-13)12-20-17(24)19-11-14-8-10-23(14)18(2,3)4/h5-7,9,14H,8,10-12H2,1-4H3,(H2,19,20,24).
What are the key properties of 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea?
1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea has a molecular weight of 329.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea is sourced from PubChem (CID 138019683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).