N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C13H21N3O2 — CID 90640352

IUPACN-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCC(C)NC(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C13H21N3O2/c1-8(7-18-3)14-13(17)10-4-5-11-12(6-10)16-9(2)15-11/h8,10H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyPDVYARWOAUNIHP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.97
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640352) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640352
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCC(C)NC(=O)C1CCc2nc(C)[nH]c2C1
InChIInChI=1S/C13H21N3O2/c1-8(7-18-3)14-13(17)10-4-5-11-12(6-10)16-9(2)15-11/h8,10H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyPDVYARWOAUNIHP-UHFFFAOYSA-N
XLogP0.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640352) is N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is COCC(C)NC(=O)C1CCc2nc(C)[nH]c2C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is PDVYARWOAUNIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(7-18-3)14-13(17)10-4-5-11-12(6-10)16-9(2)15-11/h8,10H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).