N-(1H-benzimidazol-2-ylmethyl)butanamide

C12H15N3O — CID 751089

IUPACN-(1H-benzimidazol-2-ylmethyl)butanamide
SMILESCCCC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyMXDONONSXPZRMO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.98
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)butanamide

N-(1H-benzimidazol-2-ylmethyl)butanamide (PubChem CID 751089) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)butanamide
PubChem CID751089
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)butanamide
SMILESCCCC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyMXDONONSXPZRMO-UHFFFAOYSA-N
XLogP1.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)butanamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)butanamide (CID 751089) is N-(1H-benzimidazol-2-ylmethyl)butanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)butanamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)butanamide is CCCC(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)butanamide?
The InChIKey is MXDONONSXPZRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)butanamide?
N-(1H-benzimidazol-2-ylmethyl)butanamide has a molecular weight of 217.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)butanamide is sourced from PubChem (CID 751089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).