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

C20H18N6O2 — CID 66623295

IUPAC5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCCc1ccccc1N(C(=O)c1[nH]cnc1C(N)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N6O2/c1-2-12-7-3-6-10-15(12)26(19(28)17-16(18(21)27)22-11-23-17)20-24-13-8-4-5-9-14(13)25-20/h3-11H,2H2,1H3,(H2,21,27)(H,22,23)(H,24,25)
InChIKeyMYEYNYFIGTXLHM-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.93
Rot. Bonds5

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

5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 66623295) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID66623295
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCCc1ccccc1N(C(=O)c1[nH]cnc1C(N)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N6O2/c1-2-12-7-3-6-10-15(12)26(19(28)17-16(18(21)27)22-11-23-17)20-24-13-8-4-5-9-14(13)25-20/h3-11H,2H2,1H3,(H2,21,27)(H,22,23)(H,24,25)
InChIKeyMYEYNYFIGTXLHM-UHFFFAOYSA-N
XLogP2.93
TPSA120.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623499
5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623371
5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 66623224
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
1-(1H-benzimidazol-2-yl)-1-sulfanylurea
CID 87929261
1-(1H-benzimidazol-2-yl)-5-N-(2,6-diethylphenyl)imidazole-4,5-dicarboxamide
CID 66623673
2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide
CID 63640669
4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide
CID 59349397
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
2-[2-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]phenyl]ethylcarbamic acid
CID 68600786
4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 99945716
methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
CID 69230726

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 66623295) is 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide is CCc1ccccc1N(C(=O)c1[nH]cnc1C(N)=O)c1nc2ccccc2[nH]1.
What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is MYEYNYFIGTXLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-2-12-7-3-6-10-15(12)26(19(28)17-16(18(21)27)22-11-23-17)20-24-13-8-4-5-9-14(13)25-20/h3-11H,2H2,1H3,(H2,21,27)(H,22,23)(H,24,25).
What are the key properties of 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).