N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C27H25ClN4O2 — CID 118709780

IUPACN-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccccc2)nc2cc(Cl)ccc21)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C27H25ClN4O2/c28-21-10-12-24-23(16-21)31-25(13-14-29-27(34)19-5-2-1-3-6-19)32(24)17-26(33)30-22-11-9-18-7-4-8-20(18)15-22/h1-3,5-6,9-12,15-16H,4,7-8,13-14,17H2,(H,29,34)(H,30,33)
InChIKeyGCYGAAKLNXIIIY-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.79
Rot. Bonds7

About N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 118709780) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID118709780
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC NameN-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccccc2)nc2cc(Cl)ccc21)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C27H25ClN4O2/c28-21-10-12-24-23(16-21)31-25(13-14-29-27(34)19-5-2-1-3-6-19)32(24)17-26(33)30-22-11-9-18-7-4-8-20(18)15-22/h1-3,5-6,9-12,15-16H,4,7-8,13-14,17H2,(H,29,34)(H,30,33)
InChIKeyGCYGAAKLNXIIIY-UHFFFAOYSA-N
XLogP4.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-Dichlorobenzyl)-2-Methyl-N-[(1r)-1-Phenylpropyl]-1h-Benzimidazole-5-Carboxamide
CID 44132499
2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-propenyl)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
CID 9869943
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132174
2-[2-[5,6-Dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 11846519
2-[2-(5,6-Dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione
CID 11847172
N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3614184
4-[[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 164623411
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide
CID 3159382
N-{2-[2-(acetylamino)ethyl]-1-methyl-1H-benzimidazol-5-yl}-2-chlorobenzamide
CID 4886625
N-{2-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}-3-methylbenzamide
CID 1293046
N-{3-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]propyl}cyclohexanecarboxamide
CID 16012660
4-(5-Chlorobenzimidazol-2-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-benzamide
CID 9845284

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 118709780) is N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is O=C(Cn1c(CCNC(=O)c2ccccc2)nc2cc(Cl)ccc21)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is GCYGAAKLNXIIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c28-21-10-12-24-23(16-21)31-25(13-14-29-27(34)19-5-2-1-3-6-19)32(24)17-26(33)30-22-11-9-18-7-4-8-20(18)15-22/h1-3,5-6,9-12,15-16H,4,7-8,13-14,17H2,(H,29,34)(H,30,33).
What are the key properties of N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 472.98 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 118709780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).