1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea

C19H18N8O3 — CID 171986665

IUPAC1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
SMILESCN(C(=O)Nc1nc2ccccc2[nH]1)C(=O)N(C)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N8O3/c1-26(17(28)24-15-20-11-7-3-4-8-12(11)21-15)19(30)27(2)18(29)25-16-22-13-9-5-6-10-14(13)23-16/h3-10H,1-2H3,(H2,20,21,24,28)(H2,22,23,25,29)
InChIKeyJBMGIQTVLACCCF-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.19
Rot. Bonds2

About 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea

1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea (PubChem CID 171986665) has the molecular formula C19H18N8O3 and a molecular weight of 406.41 g/mol. Its IUPAC name is 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
PubChem CID171986665
Molecular FormulaC19H18N8O3
Molecular Weight406.41 g/mol
Exact Mass406.15
IUPAC Name1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
SMILESCN(C(=O)Nc1nc2ccccc2[nH]1)C(=O)N(C)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N8O3/c1-26(17(28)24-15-20-11-7-3-4-8-12(11)21-15)19(30)27(2)18(29)25-16-22-13-9-5-6-10-14(13)23-16/h3-10H,1-2H3,(H2,20,21,24,28)(H2,22,23,25,29)
InChIKeyJBMGIQTVLACCCF-UHFFFAOYSA-N
XLogP3.19
TPSA139.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
CID 17429705
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
3-(1H-benzimidazol-2-ylamino)-N,N-dimethylpropanamide
CID 55025805
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea?
The IUPAC name of 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea (CID 171986665) is 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea.
What is the SMILES notation for 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea?
The canonical SMILES for 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea is CN(C(=O)Nc1nc2ccccc2[nH]1)C(=O)N(C)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea?
The InChIKey is JBMGIQTVLACCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O3/c1-26(17(28)24-15-20-11-7-3-4-8-12(11)21-15)19(30)27(2)18(29)25-16-22-13-9-5-6-10-14(13)23-16/h3-10H,1-2H3,(H2,20,21,24,28)(H2,22,23,25,29).
What are the key properties of 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea?
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea has a molecular weight of 406.41 g/mol, XLogP of 3.19, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea is sourced from PubChem (CID 171986665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).