2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine

C9H14N4 — CID 154555037

IUPAC2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine
SMILESCNC1=CC=C2NC(CN)=NC2C1
InChIInChI=1S/C9H14N4/c1-11-6-2-3-7-8(4-6)13-9(5-10)12-7/h2-3,8,11H,4-5,10H2,1H3,(H,12,13)
InChIKeyDHMIQCMBIWYHRD-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.29
Rot. Bonds2

About 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine

2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine (PubChem CID 154555037) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine
PubChem CID154555037
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine
SMILESCNC1=CC=C2NC(CN)=NC2C1
InChIInChI=1S/C9H14N4/c1-11-6-2-3-7-8(4-6)13-9(5-10)12-7/h2-3,8,11H,4-5,10H2,1H3,(H,12,13)
InChIKeyDHMIQCMBIWYHRD-UHFFFAOYSA-N
XLogP-0.29
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine (CID 154555037) is 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine is CNC1=CC=C2NC(CN)=NC2C1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine?
The InChIKey is DHMIQCMBIWYHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-11-6-2-3-7-8(4-6)13-9(5-10)12-7/h2-3,8,11H,4-5,10H2,1H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine?
2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine has a molecular weight of 178.24 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-3a,4-dihydro-1H-benzimidazol-5-amine is sourced from PubChem (CID 154555037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).