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

C13H13N5O — CID 4876712

IUPACN-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H13N5O/c19-12(5-7-18-8-6-14-9-18)17-13-15-10-3-1-2-4-11(10)16-13/h1-4,6,8-9H,5,7H2,(H2,15,16,17,19)
InChIKeyBLYZZTHKYSHFFC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.79
Rot. Bonds4

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

N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide (PubChem CID 4876712) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide
PubChem CID4876712
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H13N5O/c19-12(5-7-18-8-6-14-9-18)17-13-15-10-3-1-2-4-11(10)16-13/h1-4,6,8-9H,5,7H2,(H2,15,16,17,19)
InChIKeyBLYZZTHKYSHFFC-UHFFFAOYSA-N
XLogP1.79
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.79
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-ylpropanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide (CID 4876712) is N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide?
The InChIKey is BLYZZTHKYSHFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-12(5-7-18-8-6-14-9-18)17-13-15-10-3-1-2-4-11(10)16-13/h1-4,6,8-9H,5,7H2,(H2,15,16,17,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide?
N-(1H-benzimidazol-2-yl)-3-imidazol-1-ylpropanamide has a molecular weight of 255.28 g/mol, XLogP of 1.79, 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-ylpropanamide is sourced from PubChem (CID 4876712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).