(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone

C34H30N4O — CID 155598879

IUPAC(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)nc(-c2cccc4ccccc24)n3Cc2cccc3ccccc23)CC1
InChIInChI=1S/C34H30N4O/c1-36-18-20-37(21-19-36)34(39)26-16-17-32-31(22-26)35-33(30-15-7-11-25-9-3-5-14-29(25)30)38(32)23-27-12-6-10-24-8-2-4-13-28(24)27/h2-17,22H,18-21,23H2,1H3
InChIKeyJLKLHEPFAIVNER-UHFFFAOYSA-N
MW510.64 g/mol
LogP6.45
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone

(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone (PubChem CID 155598879) has the molecular formula C34H30N4O and a molecular weight of 510.64 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone
PubChem CID155598879
Molecular FormulaC34H30N4O
Molecular Weight510.64 g/mol
Exact Mass510.24
IUPAC Name(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)nc(-c2cccc4ccccc24)n3Cc2cccc3ccccc23)CC1
InChIInChI=1S/C34H30N4O/c1-36-18-20-37(21-19-36)34(39)26-16-17-32-31(22-26)35-33(30-15-7-11-25-9-3-5-14-29(25)30)38(32)23-27-12-6-10-24-8-2-4-13-28(24)27/h2-17,22H,18-21,23H2,1H3
InChIKeyJLKLHEPFAIVNER-UHFFFAOYSA-N
XLogP6.45
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598924
[1-(cyclohexylmethyl)-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598851
(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397847
[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
2-methyl-5-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 37210584
1-[(4-chlorophenyl)methyl]-2-naphthalen-1-yl-5-(1-piperidin-1-ylethenyl)benzimidazole
CID 155599091
methyl 1-[(3,4-difluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 155599061
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
CID 90040069
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone (CID 155598879) is (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone is CN1CCN(C(=O)c2ccc3c(c2)nc(-c2cccc4ccccc24)n3Cc2cccc3ccccc23)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone?
The InChIKey is JLKLHEPFAIVNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O/c1-36-18-20-37(21-19-36)34(39)26-16-17-32-31(22-26)35-33(30-15-7-11-25-9-3-5-14-29(25)30)38(32)23-27-12-6-10-24-8-2-4-13-28(24)27/h2-17,22H,18-21,23H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone?
(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone has a molecular weight of 510.64 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 155598879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).