N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide

C23H27N3O — CID 22579575

IUPACN-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc2c(c1)nc1n2CCCCC1
InChIInChI=1S/C23H27N3O/c1-17(11-12-18-8-4-2-5-9-18)24-23(27)19-13-14-21-20(16-19)25-22-10-6-3-7-15-26(21)22/h2,4-5,8-9,13-14,16-17H,3,6-7,10-12,15H2,1H3,(H,24,27)
InChIKeyWFCRDIWTINTHDQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.51
Rot. Bonds5

About N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide

N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide (PubChem CID 22579575) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
PubChem CID22579575
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc2c(c1)nc1n2CCCCC1
InChIInChI=1S/C23H27N3O/c1-17(11-12-18-8-4-2-5-9-18)24-23(27)19-13-14-21-20(16-19)25-22-10-6-3-7-15-26(21)22/h2,4-5,8-9,13-14,16-17H,3,6-7,10-12,15H2,1H3,(H,24,27)
InChIKeyWFCRDIWTINTHDQ-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
N-[(3,4-dimethoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
CID 22579591
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate
CID 55424613
N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074884
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
2-methyl-1-(4-phenylbutan-2-yl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine;hydroiodide
CID 111172458
2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 40816597
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
CID 51157933
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide (CID 22579575) is N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1ccc2c(c1)nc1n2CCCCC1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is WFCRDIWTINTHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17(11-12-18-8-4-2-5-9-18)24-23(27)19-13-14-21-20(16-19)25-22-10-6-3-7-15-26(21)22/h2,4-5,8-9,13-14,16-17H,3,6-7,10-12,15H2,1H3,(H,24,27).
What are the key properties of N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide?
N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 22579575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).