N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide

C16H22N4O2 — CID 110772843

IUPACN-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
SMILESCC(=O)NCCNC(=O)Cc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C16H22N4O2/c1-10(2)16-19-13-5-4-12(8-14(13)20-16)9-15(22)18-7-6-17-11(3)21/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyNXLUSVITMUJAMO-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.48
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide

N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide (PubChem CID 110772843) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
PubChem CID110772843
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
SMILESCC(=O)NCCNC(=O)Cc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C16H22N4O2/c1-10(2)16-19-13-5-4-12(8-14(13)20-16)9-15(22)18-7-6-17-11(3)21/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyNXLUSVITMUJAMO-UHFFFAOYSA-N
XLogP1.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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]pentanamide
CID 110791570
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
CID 110772829
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
methyl 4-oxo-4-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]butanoate
CID 110785722
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785739
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110791569
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide (CID 110772843) is N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide is CC(=O)NCCNC(=O)Cc1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is NXLUSVITMUJAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)16-19-13-5-4-12(8-14(13)20-16)9-15(22)18-7-6-17-11(3)21/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide?
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).