(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine

C9H13N3 — CID 70224389

IUPAC(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine
SMILESCC1=NC2CC=C(CN)C=C2N1
InChIInChI=1S/C9H13N3/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2,4,8H,3,5,10H2,1H3,(H,11,12)
InChIKeyZBLMRBMTSOIPOO-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.55
Rot. Bonds1

About (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine

(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine (PubChem CID 70224389) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine
PubChem CID70224389
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine
SMILESCC1=NC2CC=C(CN)C=C2N1
InChIInChI=1S/C9H13N3/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2,4,8H,3,5,10H2,1H3,(H,11,12)
InChIKeyZBLMRBMTSOIPOO-UHFFFAOYSA-N
XLogP0.55
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine (CID 70224389) is (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine is CC1=NC2CC=C(CN)C=C2N1.
What is the InChIKey of (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine?
The InChIKey is ZBLMRBMTSOIPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2,4,8H,3,5,10H2,1H3,(H,11,12).
What are the key properties of (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine?
(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine has a molecular weight of 163.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 70224389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).