1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea

C20H30N6O — CID 154781453

IUPAC1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCCN(C(C)(C)CNC(=O)NCc2cccnc2-n2ccnc2)C1
InChIInChI=1S/C20H30N6O/c1-16-6-5-10-26(13-16)20(2,3)14-24-19(27)23-12-17-7-4-8-22-18(17)25-11-9-21-15-25/h4,7-9,11,15-16H,5-6,10,12-14H2,1-3H3,(H2,23,24,27)
InChIKeyBNMCGAKMSSICNO-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.58
Rot. Bonds6

About 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea

1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea (PubChem CID 154781453) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
PubChem CID154781453
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCCN(C(C)(C)CNC(=O)NCc2cccnc2-n2ccnc2)C1
InChIInChI=1S/C20H30N6O/c1-16-6-5-10-26(13-16)20(2,3)14-24-19(27)23-12-17-7-4-8-22-18(17)25-11-9-21-15-25/h4,7-9,11,15-16H,5-6,10,12-14H2,1-3H3,(H2,23,24,27)
InChIKeyBNMCGAKMSSICNO-UHFFFAOYSA-N
XLogP2.58
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea with MolForge

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Related Compounds

1-[2-[(3S)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(pyridin-3-ylmethyl)urea
CID 95622001
3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 120612697
1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 166230289
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
CID 119114542
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142830
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 120969780
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62293447
3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide
CID 51124918
3-(3-methoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 60568816

Frequently Asked Questions

What is the IUPAC name of 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea (CID 154781453) is 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea is CC1CCCN(C(C)(C)CNC(=O)NCc2cccnc2-n2ccnc2)C1.
What is the InChIKey of 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea?
The InChIKey is BNMCGAKMSSICNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-16-6-5-10-26(13-16)20(2,3)14-24-19(27)23-12-17-7-4-8-22-18(17)25-11-9-21-15-25/h4,7-9,11,15-16H,5-6,10,12-14H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea?
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea has a molecular weight of 370.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 154781453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).