2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide

C20H29N3O2 — CID 122135801

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide
SMILESCCC(CC)C1CC(NC(=O)Cn2c(C)nc3ccccc32)CCO1
InChIInChI=1S/C20H29N3O2/c1-4-15(5-2)19-12-16(10-11-25-19)22-20(24)13-23-14(3)21-17-8-6-7-9-18(17)23/h6-9,15-16,19H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyAOYJCSUSMXFLBS-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.44
Rot. Bonds6

About 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide

2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide (PubChem CID 122135801) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide
PubChem CID122135801
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide
SMILESCCC(CC)C1CC(NC(=O)Cn2c(C)nc3ccccc32)CCO1
InChIInChI=1S/C20H29N3O2/c1-4-15(5-2)19-12-16(10-11-25-19)22-20(24)13-23-14(3)21-17-8-6-7-9-18(17)23/h6-9,15-16,19H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyAOYJCSUSMXFLBS-UHFFFAOYSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
2-(2-methylbenzimidazol-1-yl)-N-(2-methylpiperidin-4-yl)acetamide
CID 120598810
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91783286
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
N-(2-amino-1-cyclopropylethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119615273
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 17029875
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91762043
N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 110129982
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
2-[2-[(1R)-1-acetamidoethyl]benzimidazol-1-yl]-N-cyclopentylacetamide
CID 39730168
2-(2-methylbenzimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 119072189

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide (CID 122135801) is 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide is CCC(CC)C1CC(NC(=O)Cn2c(C)nc3ccccc32)CCO1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide?
The InChIKey is AOYJCSUSMXFLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-15(5-2)19-12-16(10-11-25-19)22-20(24)13-23-14(3)21-17-8-6-7-9-18(17)23/h6-9,15-16,19H,4-5,10-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide?
2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide is sourced from PubChem (CID 122135801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).