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

C20H18N6O4 — CID 66623499

IUPAC5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(OC)c1N(C(=O)c1[nH]cnc1C(N)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N6O4/c1-29-13-8-5-9-14(30-2)17(13)26(19(28)16-15(18(21)27)22-10-23-16)20-24-11-6-3-4-7-12(11)25-20/h3-10H,1-2H3,(H2,21,27)(H,22,23)(H,24,25)
InChIKeyKKPNPBYPTHRDET-UHFFFAOYSA-N
MW406.40 g/mol
LogP2.38
Rot. Bonds6

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

5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 66623499) has the molecular formula C20H18N6O4 and a molecular weight of 406.40 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID66623499
Molecular FormulaC20H18N6O4
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(OC)c1N(C(=O)c1[nH]cnc1C(N)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N6O4/c1-29-13-8-5-9-14(30-2)17(13)26(19(28)16-15(18(21)27)22-10-23-16)20-24-11-6-3-4-7-12(11)25-20/h3-10H,1-2H3,(H2,21,27)(H,22,23)(H,24,25)
InChIKeyKKPNPBYPTHRDET-UHFFFAOYSA-N
XLogP2.38
TPSA139.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(1H-benzimidazol-2-yl)-5-N-(2-ethylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623295
5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 66623224
N-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
CID 90027417
N-(2-methoxyphenyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143824
5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623371
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 134232324
3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole
CID 161258178
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 118419409
methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
CID 69230726
1-(1H-benzimidazol-2-yl)-1-sulfanylurea
CID 87929261
5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
(2S)-2-(1H-benzimidazol-2-yl)-5-(2-methoxyphenoxy)-3-oxopentanenitrile
CID 40633292

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide (CID 66623499) is 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide is COc1cccc(OC)c1N(C(=O)c1[nH]cnc1C(N)=O)c1nc2ccccc2[nH]1.
What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is KKPNPBYPTHRDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4/c1-29-13-8-5-9-14(30-2)17(13)26(19(28)16-15(18(21)27)22-10-23-16)20-24-11-6-3-4-7-12(11)25-20/h3-10H,1-2H3,(H2,21,27)(H,22,23)(H,24,25).
What are the key properties of 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 406.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).