N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide

C16H21N7O — CID 125431718

IUPACN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide
SMILESCC(C)c1nc2cc(NC(=O)CCCn3cnnn3)ccc2n1C
InChIInChI=1S/C16H21N7O/c1-11(2)16-19-13-9-12(6-7-14(13)22(16)3)18-15(24)5-4-8-23-10-17-20-21-23/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,24)
InChIKeyWPMQXJNMDOMZOU-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.10
Rot. Bonds6

About N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide

N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide (PubChem CID 125431718) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide
PubChem CID125431718
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide
SMILESCC(C)c1nc2cc(NC(=O)CCCn3cnnn3)ccc2n1C
InChIInChI=1S/C16H21N7O/c1-11(2)16-19-13-9-12(6-7-14(13)22(16)3)18-15(24)5-4-8-23-10-17-20-21-23/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,24)
InChIKeyWPMQXJNMDOMZOU-UHFFFAOYSA-N
XLogP2.10
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide (CID 125431718) is N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide is CC(C)c1nc2cc(NC(=O)CCCn3cnnn3)ccc2n1C.
What is the InChIKey of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide?
The InChIKey is WPMQXJNMDOMZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11(2)16-19-13-9-12(6-7-14(13)22(16)3)18-15(24)5-4-8-23-10-17-20-21-23/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,24).
What are the key properties of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide?
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide has a molecular weight of 327.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 125431718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).