N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide

C15H21N3O2 — CID 106353049

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)13(6-7-19)18-14(20)10-4-5-11-12(8-10)17-9-16-11/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyROCSPWQOMDLODC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.09
Rot. Bonds4

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 106353049) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID106353049
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)13(6-7-19)18-14(20)10-4-5-11-12(8-10)17-9-16-11/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyROCSPWQOMDLODC-UHFFFAOYSA-N
XLogP2.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 103852402
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
2-(3H-benzimidazole-5-carbonylamino)-3-methylpentanoic acid
CID 24703750
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335
N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
CID 82725393
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 93185873
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide (CID 106353049) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide is CC(C)(C)C(CCO)NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ROCSPWQOMDLODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)13(6-7-19)18-14(20)10-4-5-11-12(8-10)17-9-16-11/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 106353049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).