N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide

C13H15N3O — CID 169465629

IUPACN-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H15N3O/c1-9-15-12-6-5-11(8-13(12)16-9)4-3-7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZXTJVDKDGZMHOL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.02
Rot. Bonds3

About N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide

N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide (PubChem CID 169465629) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide
PubChem CID169465629
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H15N3O/c1-9-15-12-6-5-11(8-13(12)16-9)4-3-7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZXTJVDKDGZMHOL-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

S-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl] ethanethioate
CID 169457386
(E)-3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enoic acid
CID 59470779
methyl 3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enoate
CID 169479121
4-(2-methyl-3H-benzimidazol-5-yl)but-3-ene-1-thiol
CID 170478501
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
9H-fluoren-9-ylmethyl N-[4-(2-methyl-3H-benzimidazol-5-yl)but-3-enyl]carbamate
CID 170492429
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide
CID 169466219
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide (CID 169465629) is N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide?
The InChIKey is ZXTJVDKDGZMHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-15-12-6-5-11(8-13(12)16-9)4-3-7-14-10(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide?
N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).