N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide

C21H23ClN4O2 — CID 53199805

IUPACN-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C21H23ClN4O2/c1-3-13(2)19(25-18(27)12-14-8-10-15(22)11-9-14)20(28)26-21-23-16-6-4-5-7-17(16)24-21/h4-11,13,19H,3,12H2,1-2H3,(H,25,27)(H2,23,24,26,28)
InChIKeyXTNFHCOKSRYEBI-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.93
Rot. Bonds7

About N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide

N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide (PubChem CID 53199805) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
PubChem CID53199805
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C21H23ClN4O2/c1-3-13(2)19(25-18(27)12-14-8-10-15(22)11-9-14)20(28)26-21-23-16-6-4-5-7-17(16)24-21/h4-11,13,19H,3,12H2,1-2H3,(H,25,27)(H2,23,24,26,28)
InChIKeyXTNFHCOKSRYEBI-UHFFFAOYSA-N
XLogP3.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199807
N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
CID 53199759
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
(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
CID 2089424
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
CID 53199804
(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
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide (CID 53199805) is N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide?
The InChIKey is XTNFHCOKSRYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-3-13(2)19(25-18(27)12-14-8-10-15(22)11-9-14)20(28)26-21-23-16-6-4-5-7-17(16)24-21/h4-11,13,19H,3,12H2,1-2H3,(H,25,27)(H2,23,24,26,28).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide?
N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide has a molecular weight of 398.89 g/mol, XLogP of 3.93, 7 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-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide is sourced from PubChem (CID 53199805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).