(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide

C13H18N4O — CID 63565252

IUPAC(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-3-8(2)11(14)12(18)17-13-15-9-6-4-5-7-10(9)16-13/h4-8,11H,3,14H2,1-2H3,(H2,15,16,17,18)/t8?,11-/m0/s1
InChIKeyXGYSEUUUJVCBSK-LYNSQETBSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide

(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide (PubChem CID 63565252) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
PubChem CID63565252
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-3-8(2)11(14)12(18)17-13-15-9-6-4-5-7-10(9)16-13/h4-8,11H,3,14H2,1-2H3,(H2,15,16,17,18)/t8?,11-/m0/s1
InChIKeyXGYSEUUUJVCBSK-LYNSQETBSA-N
XLogP1.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
CID 53199804
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
CID 53199808
N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199805
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
N-(1H-benzimidazol-2-yl)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199807
N-(1H-benzimidazol-2-yl)-3-methylhexanamide
CID 75418801
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
CID 2089424
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide (CID 63565252) is (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide?
The InChIKey is XGYSEUUUJVCBSK-LYNSQETBSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-8(2)11(14)12(18)17-13-15-9-6-4-5-7-10(9)16-13/h4-8,11H,3,14H2,1-2H3,(H2,15,16,17,18)/t8?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide?
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide has a molecular weight of 246.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide is sourced from PubChem (CID 63565252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).