N-benzyl-1H-benzimidazol-2-amine

C14H13N3 — CID 563446

IUPACN-benzyl-1H-benzimidazol-2-amine
SMILESc1ccc(CNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H2,15,16,17)
InChIKeyFXMPPQGQNSTUGE-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.17
Rot. Bonds3

About N-benzyl-1H-benzimidazol-2-amine

N-benzyl-1H-benzimidazol-2-amine (PubChem CID 563446) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-benzyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-1H-benzimidazol-2-amine
PubChem CID563446
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN-benzyl-1H-benzimidazol-2-amine
SMILESc1ccc(CNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H2,15,16,17)
InChIKeyFXMPPQGQNSTUGE-UHFFFAOYSA-N
XLogP3.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-benzimidazol-2-amine?
The IUPAC name of N-benzyl-1H-benzimidazol-2-amine (CID 563446) is N-benzyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-benzyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-benzyl-1H-benzimidazol-2-amine is c1ccc(CNc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-benzyl-1H-benzimidazol-2-amine?
The InChIKey is FXMPPQGQNSTUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H2,15,16,17).
What are the key properties of N-benzyl-1H-benzimidazol-2-amine?
N-benzyl-1H-benzimidazol-2-amine has a molecular weight of 223.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 563446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).