2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide

C26H22N4O2 — CID 25166247

IUPAC2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H22N4O2/c1-32-22-11-9-21(10-12-22)28-26-29-23-15-20(25(27)31)8-13-24(23)30(26)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-15H,16H2,1H3,(H2,27,31)(H,28,29)
InChIKeyPGCRFGRCPSGHLY-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.09
Rot. Bonds6

About 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide

2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 25166247) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID25166247
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H22N4O2/c1-32-22-11-9-21(10-12-22)28-26-29-23-15-20(25(27)31)8-13-24(23)30(26)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-15H,16H2,1H3,(H2,27,31)(H,28,29)
InChIKeyPGCRFGRCPSGHLY-UHFFFAOYSA-N
XLogP5.09
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008719
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide
CID 142463367
1-[[2-(1,1-difluoroethyl)phenyl]methyl]-6-fluoro-2-(4-methoxyanilino)benzimidazole-5-carboxamide
CID 71044361
2-(1-benzothiophen-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
CID 71044385
5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole
CID 134083914
diethyl 2-[[4-[(1-benzylbenzimidazol-2-yl)amino]phenyl]methyl]propanedioate
CID 146681668
[4-[(5-carbamoyl-2-methylbenzimidazol-1-yl)methyl]phenyl]phosphonous acid
CID 155205659
CID 70326426
CID 70326426
[4-[(5-carbamoyl-2-ethylbenzimidazol-1-yl)methyl]phenoxy]boronic acid
CID 169006311
2-(4-propan-2-ylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
CID 25165071

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide (CID 25166247) is 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide is COc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is PGCRFGRCPSGHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-32-22-11-9-21(10-12-22)28-26-29-23-15-20(25(27)31)8-13-24(23)30(26)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-15H,16H2,1H3,(H2,27,31)(H,28,29).
What are the key properties of 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide?
2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-1-(naphthalen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 25166247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).