N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide

C14H20N4O — CID 63562593

IUPACN-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N4O/c1-10(2)15-9-5-8-13(19)18-14-16-11-6-3-4-7-12(11)17-14/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyXZNVRQGDPOZEQH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.28
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide

N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 63562593) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
PubChem CID63562593
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N4O/c1-10(2)15-9-5-8-13(19)18-14-16-11-6-3-4-7-12(11)17-14/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyXZNVRQGDPOZEQH-UHFFFAOYSA-N
XLogP2.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-(1H-benzimidazol-2-ylamino)-N-propan-2-ylpropanamide
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4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
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N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
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N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide (CID 63562593) is N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is XZNVRQGDPOZEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)15-9-5-8-13(19)18-14-16-11-6-3-4-7-12(11)17-14/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide?
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.28, 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)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63562593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).