1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one

C14H18N6O — CID 75459960

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one
SMILESCCCCn1nnnc1Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C14H18N6O/c1-3-4-9-20-13(15-16-17-20)10-19-12-8-6-5-7-11(12)18(2)14(19)21/h5-8H,3-4,9-10H2,1-2H3
InChIKeyNWNPAWWZTNNQCI-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.17
Rot. Bonds5

About 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one

1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 75459960) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one
PubChem CID75459960
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one
SMILESCCCCn1nnnc1Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C14H18N6O/c1-3-4-9-20-13(15-16-17-20)10-19-12-8-6-5-7-11(12)18(2)14(19)21/h5-8H,3-4,9-10H2,1-2H3
InChIKeyNWNPAWWZTNNQCI-UHFFFAOYSA-N
XLogP1.17
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one (CID 75459960) is 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one is CCCCn1nnnc1Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is NWNPAWWZTNNQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-4-9-20-13(15-16-17-20)10-19-12-8-6-5-7-11(12)18(2)14(19)21/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one?
1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 286.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 75459960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).