6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile

C26H19N3O — CID 118894038

IUPAC6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile
SMILESCOc1cc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2cc1C#N
InChIInChI=1S/C26H19N3O/c1-30-26-14-22-12-20(10-11-21(22)13-23(26)15-27)19-8-6-18(7-9-19)16-29-17-28-24-4-2-3-5-25(24)29/h2-14,17H,16H2,1H3
InChIKeyCDYQILDRUQAMFF-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.79
Rot. Bonds4

About 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile

6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile (PubChem CID 118894038) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile
PubChem CID118894038
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile
SMILESCOc1cc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2cc1C#N
InChIInChI=1S/C26H19N3O/c1-30-26-14-22-12-20(10-11-21(22)13-23(26)15-27)19-8-6-18(7-9-19)16-29-17-28-24-4-2-3-5-25(24)29/h2-14,17H,16H2,1H3
InChIKeyCDYQILDRUQAMFF-UHFFFAOYSA-N
XLogP5.79
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzonitrile
CID 118894043
4-[6-(benzimidazol-1-ylmethyl)naphthalen-2-yl]-2-methoxybenzoic acid
CID 118894053
1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine
CID 130177813
1-[[4-(3-imidazol-1-yl-4-methoxyphenyl)phenyl]methyl]benzimidazole
CID 86295969
[4-[5-(benzimidazol-1-ylmethyl)-2-cyanophenyl]phenyl] sulfamate
CID 118211324
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole
CID 143780945
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111879057
[6-[5-(benzimidazol-1-ylmethyl)-2-cyanophenyl]-3-pyridinyl] sulfamate
CID 140761632

Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile?
The IUPAC name of 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile (CID 118894038) is 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile.
What is the SMILES notation for 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile?
The canonical SMILES for 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile is COc1cc2cc(-c3ccc(Cn4cnc5ccccc54)cc3)ccc2cc1C#N.
What is the InChIKey of 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile?
The InChIKey is CDYQILDRUQAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c1-30-26-14-22-12-20(10-11-21(22)13-23(26)15-27)19-8-6-18(7-9-19)16-29-17-28-24-4-2-3-5-25(24)29/h2-14,17H,16H2,1H3.
What are the key properties of 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile?
6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile has a molecular weight of 389.46 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzimidazol-1-ylmethyl)phenyl]-3-methoxynaphthalene-2-carbonitrile is sourced from PubChem (CID 118894038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).