methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate

C25H23N7O2 — CID 67579642

IUPACmethyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate
SMILESCCNc1nc2c(C)ccc(C(=O)OC)c2n1-c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H23N7O2/c1-4-26-25-27-21-15(2)9-14-20(24(33)34-3)22(21)32(25)17-12-10-16(11-13-17)18-7-5-6-8-19(18)23-28-30-31-29-23/h5-14H,4H2,1-3H3,(H,26,27)(H,28,29,30,31)
InChIKeyVNWILOASXJWYLL-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.40
Rot. Bonds6

About methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate

methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate (PubChem CID 67579642) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate
PubChem CID67579642
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Namemethyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate
SMILESCCNc1nc2c(C)ccc(C(=O)OC)c2n1-c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H23N7O2/c1-4-26-25-27-21-15(2)9-14-20(24(33)34-3)22(21)32(25)17-12-10-16(11-13-17)18-7-5-6-8-19(18)23-28-30-31-29-23/h5-14H,4H2,1-3H3,(H,26,27)(H,28,29,30,31)
InChIKeyVNWILOASXJWYLL-UHFFFAOYSA-N
XLogP4.40
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-ethoxy-7-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate
CID 67579318
propanoyl 2-ethoxy-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboperoxoate
CID 142633060
methyl 2-ethoxy-3-[4-[2-(C-ethoxy-N-methoxycarbonylcarbonimidoyl)phenyl]phenyl]-7-methylbenzimidazole-4-carboxylate
CID 67616092
methyl 3-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylate
CID 67579147
methyl 2-butyl-3-[4-[2-[(2-ethoxy-2-oxoethyl)amino]phenyl]phenyl]-7-methylbenzimidazole-4-carboxylate
CID 67564925
methyl 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 14962909
methyl 2-[ethyl(methyl)amino]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654737
methyl 2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654724
methyl 2-(2-methoxyethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654728
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504
methyl 2-methoxy-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-4-carboxylate
CID 15291934
methyl 2-(2-methylsulfanylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654729

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate (CID 67579642) is methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate is CCNc1nc2c(C)ccc(C(=O)OC)c2n1-c1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate?
The InChIKey is VNWILOASXJWYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-4-26-25-27-21-15(2)9-14-20(24(33)34-3)22(21)32(25)17-12-10-16(11-13-17)18-7-5-6-8-19(18)23-28-30-31-29-23/h5-14H,4H2,1-3H3,(H,26,27)(H,28,29,30,31).
What are the key properties of methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate?
methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate has a molecular weight of 453.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate is sourced from PubChem (CID 67579642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).