1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one

C18H19N7O — CID 71990919

IUPAC1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one
SMILESCC(Nc1ccc2c(c1)n(C)c(=O)n2C)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N7O/c1-12(17-20-21-22-25(17)14-7-5-4-6-8-14)19-13-9-10-15-16(11-13)24(3)18(26)23(15)2/h4-12,19H,1-3H3
InChIKeyOMFXQJWADDFKGW-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.03
Rot. Bonds4

About 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one

1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one (PubChem CID 71990919) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one
PubChem CID71990919
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one
SMILESCC(Nc1ccc2c(c1)n(C)c(=O)n2C)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N7O/c1-12(17-20-21-22-25(17)14-7-5-4-6-8-14)19-13-9-10-15-16(11-13)24(3)18(26)23(15)2/h4-12,19H,1-3H3
InChIKeyOMFXQJWADDFKGW-UHFFFAOYSA-N
XLogP2.03
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one (CID 71990919) is 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one is CC(Nc1ccc2c(c1)n(C)c(=O)n2C)c1nnnn1-c1ccccc1.
What is the InChIKey of 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one?
The InChIKey is OMFXQJWADDFKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12(17-20-21-22-25(17)14-7-5-4-6-8-14)19-13-9-10-15-16(11-13)24(3)18(26)23(15)2/h4-12,19H,1-3H3.
What are the key properties of 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one?
1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one has a molecular weight of 349.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(1-phenyltetrazol-5-yl)ethylamino]benzimidazol-2-one is sourced from PubChem (CID 71990919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).