N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide

C14H15N5O — CID 4876708

IUPACN-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide
SMILESCC(CC(=O)Nc1nc2ccccc2[nH]1)n1ccnc1
InChIInChI=1S/C14H15N5O/c1-10(19-7-6-15-9-19)8-13(20)18-14-16-11-4-2-3-5-12(11)17-14/h2-7,9-10H,8H2,1H3,(H2,16,17,18,20)
InChIKeyLRUDWBZHNCQYTN-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.35
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide

N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide (PubChem CID 4876708) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide
PubChem CID4876708
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide
SMILESCC(CC(=O)Nc1nc2ccccc2[nH]1)n1ccnc1
InChIInChI=1S/C14H15N5O/c1-10(19-7-6-15-9-19)8-13(20)18-14-16-11-4-2-3-5-12(11)17-14/h2-7,9-10H,8H2,1H3,(H2,16,17,18,20)
InChIKeyLRUDWBZHNCQYTN-UHFFFAOYSA-N
XLogP2.35
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide (CID 4876708) is N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide is CC(CC(=O)Nc1nc2ccccc2[nH]1)n1ccnc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide?
The InChIKey is LRUDWBZHNCQYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(19-7-6-15-9-19)8-13(20)18-14-16-11-4-2-3-5-12(11)17-14/h2-7,9-10H,8H2,1H3,(H2,16,17,18,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide?
N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide has a molecular weight of 269.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylbutanamide is sourced from PubChem (CID 4876708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).