N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide

C23H24N4O2 — CID 118223783

IUPACN-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide
SMILESC=CC(=O)N1CCCC(n2c(NC(=O)c3ccccc3)nc3cccc(C)c32)C1
InChIInChI=1S/C23H24N4O2/c1-3-20(28)26-14-8-12-18(15-26)27-21-16(2)9-7-13-19(21)24-23(27)25-22(29)17-10-5-4-6-11-17/h3-7,9-11,13,18H,1,8,12,14-15H2,2H3,(H,24,25,29)
InChIKeyDAQJJQWUGLJIJG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.95
Rot. Bonds4

About N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide

N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide (PubChem CID 118223783) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide
PubChem CID118223783
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide
SMILESC=CC(=O)N1CCCC(n2c(NC(=O)c3ccccc3)nc3cccc(C)c32)C1
InChIInChI=1S/C23H24N4O2/c1-3-20(28)26-14-8-12-18(15-26)27-21-16(2)9-7-13-19(21)24-23(27)25-22(29)17-10-5-4-6-11-17/h3-7,9-11,13,18H,1,8,12,14-15H2,2H3,(H,24,25,29)
InChIKeyDAQJJQWUGLJIJG-UHFFFAOYSA-N
XLogP3.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[7-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118223719
N-[1-[1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methylbenzimidazol-2-yl]benzamide
CID 123539475
N-[7-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]benzamide
CID 118223637
N-[1-[(3R)-1-prop-2-enoylazepan-3-yl]-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide
CID 126732330
N-[7-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-4-(prop-2-enoylamino)thiophene-2-carboxamide
CID 169308259
3-methyl-N-[1-(1-prop-2-enoylazepan-3-yl)-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazol-2-yl]benzamide
CID 123519399
N-[7-chloro-6-(1-ethylpiperidin-4-yl)oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]benzamide
CID 135157934
N-[1-[(3R)-1-but-2-enoylazepan-3-yl]-7-methylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 154069981
N-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-prop-2-enoyl-1,4-oxazepan-6-yl)benzimidazol-2-yl]benzamide
CID 118223942
N-[5-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-methyl-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118396001
N-[4-chloro-7,7-difluoro-9-methyl-3-[(3R)-1-prop-2-enoylazepan-3-yl]-6,8-dihydroimidazo[4,5-h][1,5]benzoxazepin-2-yl]benzamide
CID 118400789
N-[1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methylbenzimidazol-2-yl]-6-methylpyridazine-4-carboxamide
CID 118224030

Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide (CID 118223783) is N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide is C=CC(=O)N1CCCC(n2c(NC(=O)c3ccccc3)nc3cccc(C)c32)C1.
What is the InChIKey of N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide?
The InChIKey is DAQJJQWUGLJIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-3-20(28)26-14-8-12-18(15-26)27-21-16(2)9-7-13-19(21)24-23(27)25-22(29)17-10-5-4-6-11-17/h3-7,9-11,13,18H,1,8,12,14-15H2,2H3,(H,24,25,29).
What are the key properties of N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide?
N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 118223783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).