1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide

C22H22N6O2 — CID 66623673

IUPAC1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C(N)=O)ncn1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H22N6O2/c1-3-13-8-7-9-14(4-2)17(13)27-21(30)19-18(20(23)29)24-12-28(19)22-25-15-10-5-6-11-16(15)26-22/h5-12H,3-4H2,1-2H3,(H2,23,29)(H,25,26)(H,27,30)
InChIKeySPQLAVKOTVPOQK-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.22
Rot. Bonds6

About 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide

1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide (PubChem CID 66623673) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide
PubChem CID66623673
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C(N)=O)ncn1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H22N6O2/c1-3-13-8-7-9-14(4-2)17(13)27-21(30)19-18(20(23)29)24-12-28(19)22-25-15-10-5-6-11-16(15)26-22/h5-12H,3-4H2,1-2H3,(H2,23,29)(H,25,26)(H,27,30)
InChIKeySPQLAVKOTVPOQK-UHFFFAOYSA-N
XLogP3.22
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-benzimidazol-2-yl)-5-N-(2-methylsulfanylphenyl)imidazole-4,5-dicarboxamide
CID 66622896
1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide
CID 66623082
1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide
CID 66623795
1-(1H-benzimidazol-2-yl)-4-N-[4-(1-ethylpiperidin-4-yl)oxy-2-methylphenyl]imidazole-4,5-dicarboxamide
CID 66623786
3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide
CID 141145857
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8761822
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
4-amino-N-(2,6-diethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 65357426
5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623295
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide (CID 66623673) is 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1c(C(N)=O)ncn1-c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide?
The InChIKey is SPQLAVKOTVPOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-3-13-8-7-9-14(4-2)17(13)27-21(30)19-18(20(23)29)24-12-28(19)22-25-15-10-5-6-11-16(15)26-22/h5-12H,3-4H2,1-2H3,(H2,23,29)(H,25,26)(H,27,30).
What are the key properties of 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide?
1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).