N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine

C10H15N3 — CID 134504064

IUPACN,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine
SMILESCc1nc2c([nH]1)=CC(N(C)C)CC=2
InChIInChI=1S/C10H15N3/c1-7-11-9-5-4-8(13(2)3)6-10(9)12-7/h5-6,8H,4H2,1-3H3,(H,11,12)
InChIKeyREXBRMBLRABWDD-UHFFFAOYSA-N
MW177.25 g/mol
LogP-0.39
Rot. Bonds1

About N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine

N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine (PubChem CID 134504064) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine
PubChem CID134504064
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine
SMILESCc1nc2c([nH]1)=CC(N(C)C)CC=2
InChIInChI=1S/C10H15N3/c1-7-11-9-5-4-8(13(2)3)6-10(9)12-7/h5-6,8H,4H2,1-3H3,(H,11,12)
InChIKeyREXBRMBLRABWDD-UHFFFAOYSA-N
XLogP-0.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine?
The IUPAC name of N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine (CID 134504064) is N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine.
What is the SMILES notation for N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine?
The canonical SMILES for N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine is Cc1nc2c([nH]1)=CC(N(C)C)CC=2.
What is the InChIKey of N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine?
The InChIKey is REXBRMBLRABWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-11-9-5-4-8(13(2)3)6-10(9)12-7/h5-6,8H,4H2,1-3H3,(H,11,12).
What are the key properties of N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine?
N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine has a molecular weight of 177.25 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5,6-dihydro-3H-benzimidazol-5-amine is sourced from PubChem (CID 134504064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).