1H-benzimidazole;propane-1,2-diamine

C10H16N4 — CID 174972252

IUPAC1H-benzimidazole;propane-1,2-diamine
SMILESCC(N)CN.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C3H10N2/c1-2-4-7-6(3-1)8-5-9-7;1-3(5)2-4/h1-5H,(H,8,9);3H,2,4-5H2,1H3
InChIKeyFKENCZQFMPXPNE-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.86
Rot. Bonds1

About 1H-benzimidazole;propane-1,2-diamine

1H-benzimidazole;propane-1,2-diamine (PubChem CID 174972252) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1H-benzimidazole;propane-1,2-diamine.

Molecular Properties

Compound Name1H-benzimidazole;propane-1,2-diamine
PubChem CID174972252
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1H-benzimidazole;propane-1,2-diamine
SMILESCC(N)CN.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C3H10N2/c1-2-4-7-6(3-1)8-5-9-7;1-3(5)2-4/h1-5H,(H,8,9);3H,2,4-5H2,1H3
InChIKeyFKENCZQFMPXPNE-UHFFFAOYSA-N
XLogP0.86
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;propane-1,2-diamine?
The IUPAC name of 1H-benzimidazole;propane-1,2-diamine (CID 174972252) is 1H-benzimidazole;propane-1,2-diamine.
What is the SMILES notation for 1H-benzimidazole;propane-1,2-diamine?
The canonical SMILES for 1H-benzimidazole;propane-1,2-diamine is CC(N)CN.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;propane-1,2-diamine?
The InChIKey is FKENCZQFMPXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C3H10N2/c1-2-4-7-6(3-1)8-5-9-7;1-3(5)2-4/h1-5H,(H,8,9);3H,2,4-5H2,1H3.
What are the key properties of 1H-benzimidazole;propane-1,2-diamine?
1H-benzimidazole;propane-1,2-diamine has a molecular weight of 192.27 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;propane-1,2-diamine is sourced from PubChem (CID 174972252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).