N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide

C17H23N5O2 — CID 51087077

IUPACN-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC(C)Cn2ccnc2)c1
InChIInChI=1S/C17H23N5O2/c1-12(2)19-17(24)21-15-6-4-5-14(9-15)16(23)20-13(3)10-22-8-7-18-11-22/h4-9,11-13H,10H2,1-3H3,(H,20,23)(H2,19,21,24)
InChIKeyQLWYSUBEQDDTSM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.23
Rot. Bonds6

About N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide

N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 51087077) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID51087077
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NC(C)Cn2ccnc2)c1
InChIInChI=1S/C17H23N5O2/c1-12(2)19-17(24)21-15-6-4-5-14(9-15)16(23)20-13(3)10-22-8-7-18-11-22/h4-9,11-13H,10H2,1-3H3,(H,20,23)(H2,19,21,24)
InChIKeyQLWYSUBEQDDTSM-UHFFFAOYSA-N
XLogP2.23
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 61481054
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrobenzamide
CID 62682502
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 94683249

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 51087077) is N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)NC(C)Cn2ccnc2)c1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is QLWYSUBEQDDTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)19-17(24)21-15-6-4-5-14(9-15)16(23)20-13(3)10-22-8-7-18-11-22/h4-9,11-13H,10H2,1-3H3,(H,20,23)(H2,19,21,24).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 51087077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).