1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole

C31H28ClN3 — CID 155599091

IUPAC1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole
SMILESC=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2Cc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C31H28ClN3/c1-22(34-18-5-2-6-19-34)25-14-17-30-29(20-25)33-31(35(30)21-23-12-15-26(32)16-13-23)28-11-7-9-24-8-3-4-10-27(24)28/h3-4,7-17,20H,1-2,5-6,18-19,21H2
InChIKeyFEUJZWULXYNPBE-UHFFFAOYSA-N
MW478.04 g/mol
LogP8.01
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole

1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole (PubChem CID 155599091) has the molecular formula C31H28ClN3 and a molecular weight of 478.04 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole
PubChem CID155599091
Molecular FormulaC31H28ClN3
Molecular Weight478.04 g/mol
Exact Mass477.20
IUPAC Name1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole
SMILESC=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2Cc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C31H28ClN3/c1-22(34-18-5-2-6-19-34)25-14-17-30-29(20-25)33-31(35(30)21-23-12-15-26(32)16-13-23)28-11-7-9-24-8-3-4-10-27(24)28/h3-4,7-17,20H,1-2,5-6,18-19,21H2
InChIKeyFEUJZWULXYNPBE-UHFFFAOYSA-N
XLogP8.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598924
[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
methyl 1-[(3,4-difluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 155599061
[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598851
(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone
CID 155598879
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 155598933
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
CID 170765469
4-(bromomethyl)-1,2-difluorobenzene;3,4-diaminobenzoic acid;methanol;methyl 3,4-diaminobenzoate;methyl 1-[(3,4-difluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazole-5-carboxylate;methyl 3-[(3,4-difluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazole-5-carboxylate;methyl 2-naphthalen-1-yl-3H-benzimidazole-5-carboxylate;naphthalene-1-carbaldehyde
CID 167683398
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 1490189
2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 16987710

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole (CID 155599091) is 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole is C=C(c1ccc2c(c1)nc(-c1cccc3ccccc13)n2Cc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole?
The InChIKey is FEUJZWULXYNPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClN3/c1-22(34-18-5-2-6-19-34)25-14-17-30-29(20-25)33-31(35(30)21-23-12-15-26(32)16-13-23)28-11-7-9-24-8-3-4-10-27(24)28/h3-4,7-17,20H,1-2,5-6,18-19,21H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole?
1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole has a molecular weight of 478.04 g/mol, XLogP of 8.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole is sourced from PubChem (CID 155599091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).