N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide

C20H21ClN4O2 — CID 53199759

IUPACN-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1Cl)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H21ClN4O2/c1-12(2)18(24-17(26)11-13-7-3-4-8-14(13)21)19(27)25-20-22-15-9-5-6-10-16(15)23-20/h3-10,12,18H,11H2,1-2H3,(H,24,26)(H2,22,23,25,27)
InChIKeyBGKOAXHBBAIFAA-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.54
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide

N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide (PubChem CID 53199759) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
PubChem CID53199759
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1Cl)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H21ClN4O2/c1-12(2)18(24-17(26)11-13-7-3-4-8-14(13)21)19(27)25-20-22-15-9-5-6-10-16(15)23-20/h3-10,12,18H,11H2,1-2H3,(H,24,26)(H2,22,23,25,27)
InChIKeyBGKOAXHBBAIFAA-UHFFFAOYSA-N
XLogP3.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199805
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-(1H-benzimidazol-2-yl)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199807
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 27649502
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955
(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
CID 2089424
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
(2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 27649237
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-3-chloro-4-fluorobenzamide
CID 53199813
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
CID 53199808

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide (CID 53199759) is N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide is CC(C)C(NC(=O)Cc1ccccc1Cl)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide?
The InChIKey is BGKOAXHBBAIFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12(2)18(24-17(26)11-13-7-3-4-8-14(13)21)19(27)25-20-22-15-9-5-6-10-16(15)23-20/h3-10,12,18H,11H2,1-2H3,(H,24,26)(H2,22,23,25,27).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide?
N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide has a molecular weight of 384.87 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 53199759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).