3-(1H-benzimidazol-4-yl)prop-2-en-1-amine

C10H11N3 — CID 169463683

IUPAC3-(1H-benzimidazol-4-yl)prop-2-en-1-amine
SMILESNCC=Cc1cccc2[nH]cnc12
InChIInChI=1S/C10H11N3/c11-6-2-4-8-3-1-5-9-10(8)13-7-12-9/h1-5,7H,6,11H2,(H,12,13)
InChIKeyGUTDEZGKOCCKHM-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.53
Rot. Bonds2

About 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine

3-(1H-benzimidazol-4-yl)prop-2-en-1-amine (PubChem CID 169463683) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-4-yl)prop-2-en-1-amine
PubChem CID169463683
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3-(1H-benzimidazol-4-yl)prop-2-en-1-amine
SMILESNCC=Cc1cccc2[nH]cnc12
InChIInChI=1S/C10H11N3/c11-6-2-4-8-3-1-5-9-10(8)13-7-12-9/h1-5,7H,6,11H2,(H,12,13)
InChIKeyGUTDEZGKOCCKHM-UHFFFAOYSA-N
XLogP1.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine?
The IUPAC name of 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine (CID 169463683) is 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine is NCC=Cc1cccc2[nH]cnc12.
What is the InChIKey of 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine?
The InChIKey is GUTDEZGKOCCKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-6-2-4-8-3-1-5-9-10(8)13-7-12-9/h1-5,7H,6,11H2,(H,12,13).
What are the key properties of 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine?
3-(1H-benzimidazol-4-yl)prop-2-en-1-amine has a molecular weight of 173.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 169463683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).