N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide

C14H19N3O — CID 3995612

IUPACN-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CC(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)9-17-13-7-5-4-6-12(13)16-14(17)8-15-11(3)18/h4-7,10H,8-9H2,1-3H3,(H,15,18)
InChIKeyBXQDARSSZJAHJI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds4

About N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide

N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide (PubChem CID 3995612) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
PubChem CID3995612
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CC(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)9-17-13-7-5-4-6-12(13)16-14(17)8-15-11(3)18/h4-7,10H,8-9H2,1-3H3,(H,15,18)
InChIKeyBXQDARSSZJAHJI-UHFFFAOYSA-N
XLogP2.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970750
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide
CID 52904872
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005950
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-benzyl-N-propan-2-ylacetamide
CID 17006031

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide (CID 3995612) is N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide is CC(=O)NCc1nc2ccccc2n1CC(C)C.
What is the InChIKey of N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide?
The InChIKey is BXQDARSSZJAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)9-17-13-7-5-4-6-12(13)16-14(17)8-15-11(3)18/h4-7,10H,8-9H2,1-3H3,(H,15,18).
What are the key properties of N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide?
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide has a molecular weight of 245.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 3995612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).