[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

C34H29N3O — CID 155598924

IUPAC[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2Cc1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C34H29N3O/c38-34(36-20-6-1-7-21-36)26-18-19-32-31(22-26)35-33(30-17-9-13-25-11-3-5-16-29(25)30)37(32)23-27-14-8-12-24-10-2-4-15-28(24)27/h2-5,8-19,22H,1,6-7,20-21,23H2
InChIKeyPTVVPPIKYKDQDD-UHFFFAOYSA-N
MW495.63 g/mol
LogP7.68
Rot. Bonds4

About [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone

[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 155598924) has the molecular formula C34H29N3O and a molecular weight of 495.63 g/mol. Its IUPAC name is [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID155598924
Molecular FormulaC34H29N3O
Molecular Weight495.63 g/mol
Exact Mass495.23
IUPAC Name[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2Cc1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C34H29N3O/c38-34(36-20-6-1-7-21-36)26-18-19-32-31(22-26)35-33(30-17-9-13-25-11-3-5-16-29(25)30)37(32)23-27-14-8-12-24-10-2-4-15-28(24)27/h2-5,8-19,22H,1,6-7,20-21,23H2
InChIKeyPTVVPPIKYKDQDD-UHFFFAOYSA-N
XLogP7.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone
CID 155598879
[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598851
[3-[(4-fluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598874
[3-[(4-bromophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 164941908
1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole
CID 155599091
(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397847
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
methyl 1-[(3,4-difluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 155599061
[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 18315440
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
2-methyl-5-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 37210584
[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 110899899

Frequently Asked Questions

What is the IUPAC name of [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone (CID 155598924) is [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is O=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2Cc1cccc2ccccc12)N1CCCCC1.
What is the InChIKey of [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is PTVVPPIKYKDQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O/c38-34(36-20-6-1-7-21-36)26-18-19-32-31(22-26)35-33(30-17-9-13-25-11-3-5-16-29(25)30)37(32)23-27-14-8-12-24-10-2-4-15-28(24)27/h2-5,8-19,22H,1,6-7,20-21,23H2.
What are the key properties of [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone?
[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 495.63 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 155598924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).