N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide

C19H22N6O — CID 51128542

IUPACN-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCCC(NC(=O)CCNc1ncccn1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H22N6O/c1-2-15(18-23-13-16(25-18)14-7-4-3-5-8-14)24-17(26)9-12-22-19-20-10-6-11-21-19/h3-8,10-11,13,15H,2,9,12H2,1H3,(H,23,25)(H,24,26)(H,20,21,22)
InChIKeyZHGVDDRJFLPINH-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.94
Rot. Bonds8

About N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide

N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 51128542) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID51128542
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCCC(NC(=O)CCNc1ncccn1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H22N6O/c1-2-15(18-23-13-16(25-18)14-7-4-3-5-8-14)24-17(26)9-12-22-19-20-10-6-11-21-19/h3-8,10-11,13,15H,2,9,12H2,1H3,(H,23,25)(H,24,26)(H,20,21,22)
InChIKeyZHGVDDRJFLPINH-UHFFFAOYSA-N
XLogP2.94
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
3-(2-methoxyethoxy)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 51099230
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 94821044
2-[methyl(pyrazin-2-yl)amino]-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]acetamide
CID 51128541
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 135992659
(E)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 95304316
3-[2-oxo-2-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]ethoxy]benzamide
CID 52516393
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390
[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid
CID 67214672
N-[(2R)-1-oxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]amino]propan-2-yl]furan-2-carboxamide
CID 52512368
4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 94812869
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide (CID 51128542) is N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide is CCC(NC(=O)CCNc1ncccn1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is ZHGVDDRJFLPINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-15(18-23-13-16(25-18)14-7-4-3-5-8-14)24-17(26)9-12-22-19-20-10-6-11-21-19/h3-8,10-11,13,15H,2,9,12H2,1H3,(H,23,25)(H,24,26)(H,20,21,22).
What are the key properties of N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide?
N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 350.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 51128542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).