1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide

C12H17N5O — CID 122192067

IUPAC1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide
SMILESNCCc1nc2cc(C(N)=O)ccc2n1CCN
InChIInChI=1S/C12H17N5O/c13-4-3-11-16-9-7-8(12(15)18)1-2-10(9)17(11)6-5-14/h1-2,7H,3-6,13-14H2,(H2,15,18)
InChIKeyZIUDYZQXWLZHAI-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.40
Rot. Bonds5

About 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide

1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide (PubChem CID 122192067) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide
PubChem CID122192067
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide
SMILESNCCc1nc2cc(C(N)=O)ccc2n1CCN
InChIInChI=1S/C12H17N5O/c13-4-3-11-16-9-7-8(12(15)18)1-2-10(9)17(11)6-5-14/h1-2,7H,3-6,13-14H2,(H2,15,18)
InChIKeyZIUDYZQXWLZHAI-UHFFFAOYSA-N
XLogP-0.40
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide (CID 122192067) is 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide is NCCc1nc2cc(C(N)=O)ccc2n1CCN.
What is the InChIKey of 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide?
The InChIKey is ZIUDYZQXWLZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-4-3-11-16-9-7-8(12(15)18)1-2-10(9)17(11)6-5-14/h1-2,7H,3-6,13-14H2,(H2,15,18).
What are the key properties of 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide?
1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-aminoethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 122192067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).