N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide

C17H25N3O — CID 110791570

IUPACN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C17H25N3O/c1-4-5-6-16(21)18-10-9-13-7-8-14-15(11-13)20-17(19-14)12(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyIZPYDSCXVWHBAM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide (PubChem CID 110791570) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
PubChem CID110791570
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C17H25N3O/c1-4-5-6-16(21)18-10-9-13-7-8-14-15(11-13)20-17(19-14)12(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyIZPYDSCXVWHBAM-UHFFFAOYSA-N
XLogP3.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110791569
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141
methyl 4-oxo-4-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]butanoate
CID 110785722
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796144
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide (CID 110791570) is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide is CCCCC(=O)NCCc1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide?
The InChIKey is IZPYDSCXVWHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-5-6-16(21)18-10-9-13-7-8-14-15(11-13)20-17(19-14)12(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide?
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide has a molecular weight of 287.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 110791570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).