1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine

C12H17N3 — CID 117043705

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
SMILESCc1nc2cc(CN(C)C)ccc2n1C
InChIInChI=1S/C12H17N3/c1-9-13-11-7-10(8-14(2)3)5-6-12(11)15(9)4/h5-7H,8H2,1-4H3
InChIKeyBXIQGYUGRZXBJZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.94
Rot. Bonds2

About 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine

1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine (PubChem CID 117043705) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
PubChem CID117043705
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
SMILESCc1nc2cc(CN(C)C)ccc2n1C
InChIInChI=1S/C12H17N3/c1-9-13-11-7-10(8-14(2)3)5-6-12(11)15(9)4/h5-7H,8H2,1-4H3
InChIKeyBXIQGYUGRZXBJZ-UHFFFAOYSA-N
XLogP1.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine (CID 117043705) is 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine is Cc1nc2cc(CN(C)C)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine?
The InChIKey is BXIQGYUGRZXBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-13-11-7-10(8-14(2)3)5-6-12(11)15(9)4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine?
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine has a molecular weight of 203.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 117043705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).