1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one

C29H22N2O — CID 134155910

IUPAC1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one
SMILESO=c1n(Cc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C29H22N2O/c32-29-30(19-21-13-15-23-7-1-3-9-25(23)17-21)27-11-5-6-12-28(27)31(29)20-22-14-16-24-8-2-4-10-26(24)18-22/h1-18H,19-20H2
InChIKeyLMGBBWBWAKPXHN-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.21
Rot. Bonds4

About 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one

1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one (PubChem CID 134155910) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one
PubChem CID134155910
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one
SMILESO=c1n(Cc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C29H22N2O/c32-29-30(19-21-13-15-23-7-1-3-9-25(23)17-21)27-11-5-6-12-28(27)31(29)20-22-14-16-24-8-2-4-10-26(24)18-22/h1-18H,19-20H2
InChIKeyLMGBBWBWAKPXHN-UHFFFAOYSA-N
XLogP6.21
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Naphthalen-1-ylmethyl-2-oxo-2,3-dihydro-benzimidazol-1-yl)-propionic acid
CID 56666721
5-chloro-3-(2-naphthylmethyl)-1H-benzimidazol-2-one
CID 5276383
1,2,3-Trimethyl-2-naphthalen-1-yl-2,3-dihydro-1H-benzoimidazole
CID 2256105
N-methyl-2-(3-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
CID 46879476
N-methyl-2-(3-(1-(naphthalen-1-ylmethyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
CID 46880237
N-methyl-2-(3-(1-((4-methylnaphthalen-1-yl)methyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
CID 46880238
1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-phenylurea
CID 71455028
1-isopropenyl-3-(2-methylbenzyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 4754542
1-isopropenyl-3-(4-methylbenzyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 4754543
N-phenyl-4-(pyren-1-ylmethyl)piperazine-1-carboxamide
CID 11604141
4-Naphthalen-2-ylmethyl-piperazine-1-carboxylic acid phenylamide
CID 11667358
1-[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one
CID 166163697

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one?
The IUPAC name of 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one (CID 134155910) is 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one?
The canonical SMILES for 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one is O=c1n(Cc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one?
The InChIKey is LMGBBWBWAKPXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c32-29-30(19-21-13-15-23-7-1-3-9-25(23)17-21)27-11-5-6-12-28(27)31(29)20-22-14-16-24-8-2-4-10-26(24)18-22/h1-18H,19-20H2.
What are the key properties of 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one?
1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one has a molecular weight of 414.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-2-one is sourced from PubChem (CID 134155910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).