1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide

C17H22N4O2 — CID 86284531

IUPAC1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc2nc(C(NC(=O)C3(C(N)=O)CC3)C(C)C)[nH]c2c1
InChIInChI=1S/C17H22N4O2/c1-9(2)13(21-16(23)17(6-7-17)15(18)22)14-19-11-5-4-10(3)8-12(11)20-14/h4-5,8-9,13H,6-7H2,1-3H3,(H2,18,22)(H,19,20)(H,21,23)
InChIKeyQKTSDWGLRPFUOZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.95
Rot. Bonds5

About 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide

1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide (PubChem CID 86284531) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
PubChem CID86284531
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc2nc(C(NC(=O)C3(C(N)=O)CC3)C(C)C)[nH]c2c1
InChIInChI=1S/C17H22N4O2/c1-9(2)13(21-16(23)17(6-7-17)15(18)22)14-19-11-5-4-10(3)8-12(11)20-14/h4-5,8-9,13H,6-7H2,1-3H3,(H2,18,22)(H,19,20)(H,21,23)
InChIKeyQKTSDWGLRPFUOZ-UHFFFAOYSA-N
XLogP1.95
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
CID 124755764
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 95201522
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
CID 126448321
5,6-dimethyl-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131935989
2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea
CID 126449238
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307
5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 118778051
1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
CID 42513114
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)propanamide
CID 131889490
N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-pyrazin-2-ylpropanamide
CID 118782048

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide (CID 86284531) is 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide is Cc1ccc2nc(C(NC(=O)C3(C(N)=O)CC3)C(C)C)[nH]c2c1.
What is the InChIKey of 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is QKTSDWGLRPFUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-9(2)13(21-16(23)17(6-7-17)15(18)22)14-19-11-5-4-10(3)8-12(11)20-14/h4-5,8-9,13H,6-7H2,1-3H3,(H2,18,22)(H,19,20)(H,21,23).
What are the key properties of 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide?
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 86284531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).