2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide

C15H21N5O — CID 135270539

IUPAC2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide
SMILESC/C(CC(C)C)=N\NC(=O)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C15H21N5O/c1-10(2)8-11(3)19-20-14(21)9-16-15-17-12-6-4-5-7-13(12)18-15/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H2,16,17,18)/b19-11+
InChIKeyYJPZKDNSIQJSEQ-YBFXNURJSA-N
MW287.37 g/mol
LogP2.51
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide

2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide (PubChem CID 135270539) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide
PubChem CID135270539
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide
SMILESC/C(CC(C)C)=N\NC(=O)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C15H21N5O/c1-10(2)8-11(3)19-20-14(21)9-16-15-17-12-6-4-5-7-13(12)18-15/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H2,16,17,18)/b19-11+
InChIKeyYJPZKDNSIQJSEQ-YBFXNURJSA-N
XLogP2.51
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 145486419
3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide
CID 113341898
1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one
CID 157412307
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 143724992
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
N-(1H-benzimidazol-2-yl)-3-methylhexanamide
CID 75418801
N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
CID 115865665
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5391782
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide (CID 135270539) is 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide is C/C(CC(C)C)=N\NC(=O)CNc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide?
The InChIKey is YJPZKDNSIQJSEQ-YBFXNURJSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)8-11(3)19-20-14(21)9-16-15-17-12-6-4-5-7-13(12)18-15/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H2,16,17,18)/b19-11+.
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide?
2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide has a molecular weight of 287.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide is sourced from PubChem (CID 135270539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).