N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide

C19H27N7O3 — CID 57463452

IUPACN-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide
SMILESCC(O)CCn1c(=O)n(C(=O)N[C@H](c2nnn(C)n2)C(C)(C)C)c2ccccc21
InChIInChI=1S/C19H27N7O3/c1-12(27)10-11-25-13-8-6-7-9-14(13)26(18(25)29)17(28)20-15(19(2,3)4)16-21-23-24(5)22-16/h6-9,12,15,27H,10-11H2,1-5H3,(H,20,28)/t12?,15-/m1/s1
InChIKeyJTQINLUTHJKBJN-WPZCJLIBSA-N
MW401.47 g/mol
LogP1.44
Rot. Bonds5

About N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide

N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 57463452) has the molecular formula C19H27N7O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID57463452
Molecular FormulaC19H27N7O3
Molecular Weight401.47 g/mol
Exact Mass401.22
IUPAC NameN-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide
SMILESCC(O)CCn1c(=O)n(C(=O)N[C@H](c2nnn(C)n2)C(C)(C)C)c2ccccc21
InChIInChI=1S/C19H27N7O3/c1-12(27)10-11-25-13-8-6-7-9-14(13)26(18(25)29)17(28)20-15(19(2,3)4)16-21-23-24(5)22-16/h6-9,12,15,27H,10-11H2,1-5H3,(H,20,28)/t12?,15-/m1/s1
InChIKeyJTQINLUTHJKBJN-WPZCJLIBSA-N
XLogP1.44
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide (CID 57463452) is N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide is CC(O)CCn1c(=O)n(C(=O)N[C@H](c2nnn(C)n2)C(C)(C)C)c2ccccc21.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is JTQINLUTHJKBJN-WPZCJLIBSA-N. The full InChI is InChI=1S/C19H27N7O3/c1-12(27)10-11-25-13-8-6-7-9-14(13)26(18(25)29)17(28)20-15(19(2,3)4)16-21-23-24(5)22-16/h6-9,12,15,27H,10-11H2,1-5H3,(H,20,28)/t12?,15-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide?
N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-(2-methyltetrazol-5-yl)propyl]-3-(3-hydroxybutyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 57463452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).