4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide

C15H16N6O2 — CID 68971589

IUPAC4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide
SMILESCC(C)c1cnc(NC(=O)c2cccc3[nH]c(C(N)=O)nc23)[nH]1
InChIInChI=1S/C15H16N6O2/c1-7(2)10-6-17-15(19-10)21-14(23)8-4-3-5-9-11(8)20-13(18-9)12(16)22/h3-7H,1-2H3,(H2,16,22)(H,18,20)(H2,17,19,21,23)
InChIKeyRKUGRJZEZXVXSB-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.76
Rot. Bonds4

About 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide

4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide (PubChem CID 68971589) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide
PubChem CID68971589
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide
SMILESCC(C)c1cnc(NC(=O)c2cccc3[nH]c(C(N)=O)nc23)[nH]1
InChIInChI=1S/C15H16N6O2/c1-7(2)10-6-17-15(19-10)21-14(23)8-4-3-5-9-11(8)20-13(18-9)12(16)22/h3-7H,1-2H3,(H2,16,22)(H,18,20)(H2,17,19,21,23)
InChIKeyRKUGRJZEZXVXSB-UHFFFAOYSA-N
XLogP1.76
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methylsulfonylphenyl)-1H-benzimidazole-2,4-dicarboxamide
CID 68974180
4-N-(2-methylsulfanylethyl)-1H-benzimidazole-2,4-dicarboxamide
CID 68973275
4-chloro-1H-benzimidazole-2-carboxamide
CID 175457980
4-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazole-2,4-dicarboxamide
CID 68972436
(2-carbamoyl-1H-benzimidazol-4-yl)boronic acid
CID 140900900
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 58932987
methyl 4-propan-2-yl-1H-benzimidazole-2-carboxylate
CID 135165634

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide?
The IUPAC name of 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide (CID 68971589) is 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide?
The canonical SMILES for 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide is CC(C)c1cnc(NC(=O)c2cccc3[nH]c(C(N)=O)nc23)[nH]1.
What is the InChIKey of 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide?
The InChIKey is RKUGRJZEZXVXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-7(2)10-6-17-15(19-10)21-14(23)8-4-3-5-9-11(8)20-13(18-9)12(16)22/h3-7H,1-2H3,(H2,16,22)(H,18,20)(H2,17,19,21,23).
What are the key properties of 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide?
4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-propan-2-yl-1H-imidazol-2-yl)-1H-benzimidazole-2,4-dicarboxamide is sourced from PubChem (CID 68971589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).