N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

C22H19N3O — CID 17454816

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCC(NC(=O)c1ccc2c3c(cccc13)CC2)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H19N3O/c1-13(21-24-18-7-2-3-8-19(18)25-21)23-22(26)17-12-11-15-10-9-14-5-4-6-16(17)20(14)15/h2-8,11-13H,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyVHFAHDIGSJEKMQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.31
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 17454816) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID17454816
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCC(NC(=O)c1ccc2c3c(cccc13)CC2)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H19N3O/c1-13(21-24-18-7-2-3-8-19(18)25-21)23-22(26)17-12-11-15-10-9-14-5-4-6-16(17)20(14)15/h2-8,11-13H,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyVHFAHDIGSJEKMQ-UHFFFAOYSA-N
XLogP4.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)-2-fluorobenzamide
CID 75387783
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 60620350
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 76879730
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 17454816) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is CC(NC(=O)c1ccc2c3c(cccc13)CC2)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is VHFAHDIGSJEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-13(21-24-18-7-2-3-8-19(18)25-21)23-22(26)17-12-11-15-10-9-14-5-4-6-16(17)20(14)15/h2-8,11-13H,9-10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 17454816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).