(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide

C14H18N4O2 — CID 27649319

IUPAC(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C14H18N4O2/c1-8(2)12(15-9(3)19)13(20)18-14-16-10-6-4-5-7-11(10)17-14/h4-8,12H,1-3H3,(H,15,19)(H2,16,17,18,20)/t12-/m1/s1
InChIKeyQKEHRYPFAYIHBY-GFCCVEGCSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds4

About (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide

(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide (PubChem CID 27649319) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
PubChem CID27649319
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C14H18N4O2/c1-8(2)12(15-9(3)19)13(20)18-14-16-10-6-4-5-7-11(10)17-14/h4-8,12H,1-3H3,(H,15,19)(H2,16,17,18,20)/t12-/m1/s1
InChIKeyQKEHRYPFAYIHBY-GFCCVEGCSA-N
XLogP1.66
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide 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-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
CID 53199759
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51419906
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 4288880
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 27649502
(2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 27649237
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41078842
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
N-(1H-benzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47155435
(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
CID 2089424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide (CID 27649319) is (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide is CC(=O)N[C@@H](C(=O)Nc1nc2ccccc2[nH]1)C(C)C.
What is the InChIKey of (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide?
The InChIKey is QKEHRYPFAYIHBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(2)12(15-9(3)19)13(20)18-14-16-10-6-4-5-7-11(10)17-14/h4-8,12H,1-3H3,(H,15,19)(H2,16,17,18,20)/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide?
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide has a molecular weight of 274.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 27649319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).