3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide

C21H23N7O — CID 60567231

IUPAC3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCC(C)C(C(=O)NCc1nc2ccccc2n1C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C21H23N7O/c1-14(2)19(28-25-20(24-26-28)15-9-5-4-6-10-15)21(29)22-13-18-23-16-11-7-8-12-17(16)27(18)3/h4-12,14,19H,13H2,1-3H3,(H,22,29)
InChIKeyVPFAMIAWWPJBAP-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.74
Rot. Bonds6

About 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide

3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 60567231) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide
PubChem CID60567231
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCC(C)C(C(=O)NCc1nc2ccccc2n1C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C21H23N7O/c1-14(2)19(28-25-20(24-26-28)15-9-5-4-6-10-15)21(29)22-13-18-23-16-11-7-8-12-17(16)27(18)3/h4-12,14,19H,13H2,1-3H3,(H,22,29)
InChIKeyVPFAMIAWWPJBAP-UHFFFAOYSA-N
XLogP2.74
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
CID 51073455
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide (CID 60567231) is 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide is CC(C)C(C(=O)NCc1nc2ccccc2n1C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is VPFAMIAWWPJBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-14(2)19(28-25-20(24-26-28)15-9-5-4-6-10-15)21(29)22-13-18-23-16-11-7-8-12-17(16)27(18)3/h4-12,14,19H,13H2,1-3H3,(H,22,29).
What are the key properties of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide?
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 389.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 60567231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).